data_2ko8_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 2ko8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 121.355 0.598 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -113.77 131.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.96 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.93 150.0 43.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.055 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.17 -15.15 55.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.515 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -6.95 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.76 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.26 -10.41 17.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.159 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.429 ' CD2' HD21 ' A' ' 43' ' ' LEU . 6.2 mp -119.39 -23.05 6.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.84 0.352 . . . . 0.0 111.02 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -130.05 130.34 44.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.42 139.77 50.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.65 131.97 49.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.065 0.46 . . . . 0.0 110.838 -176.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.829 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.62 165.91 5.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 124.132 0.973 . . . . 0.0 112.676 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.829 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 62.2 Cg_exo -46.45 -34.7 15.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.201 2.601 . . . . 0.0 114.291 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.54 -31.88 0.25 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -165.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.3 p -116.74 45.66 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.94 28.64 1.52 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -147.77 -21.32 0.36 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -165.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.17 -31.81 0.81 Allowed 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.904 -174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.95 26.46 37.42 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.652 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.58 ' O ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -135.06 -156.64 0.74 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 122.571 0.348 . . . . 0.0 110.131 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.617 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.0 mm -174.93 95.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 59.88 48.02 9.41 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.53 0.519 . . . . 0.0 110.517 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.63 1.57 17.32 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.458 -0.877 . . . . 0.0 113.012 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -119.26 146.19 40.2 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-N 114.66 -0.77 . . . . 0.0 111.042 -168.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.14 120.5 8.06 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.488 2.792 . . . . 0.0 112.821 -176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 45.0 t -69.94 136.19 87.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 21' ' ' ILE . 57.2 Cg_exo -34.76 -58.62 0.37 Allowed 'Trans proline' 0 C--N 1.355 0.909 1 C-N-CA 125.746 4.297 . . . . 0.0 116.135 -178.039 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.57 -7.47 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -163.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 19.9 p -130.16 92.97 3.38 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 p -68.12 51.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.44 46.49 3.23 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.441 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HG2' ' HG2' ' B' ' 49' ' ' LYS . 2.1 mppt? -121.34 -35.87 3.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 109.774 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.73 -38.93 3.08 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG11 ' HA ' ' A' ' 11' ' ' ALA . 30.7 m -112.06 161.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.966 0.412 . . . . 0.0 111.238 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.1 pt -124.33 161.89 26.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.848 174.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD21 ' CZ ' ' B' ' 46' ' ' PHE . 4.2 mp -89.91 164.36 14.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.646 0.736 . . . . 0.0 112.635 -172.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.06 -178.28 3.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.451 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.43 98.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.631 0.65 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -60.72 -44.04 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.642 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -32.05 78.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.67 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.538 ' HA ' HD21 ' A' ' 44' ' ' LEU . 3.2 m-85 -70.51 -31.83 69.08 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.067 0.147 . . . . 0.0 111.222 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -70.3 -30.34 67.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.288 0.566 . . . . 0.0 109.937 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.634 ' O ' HG21 ' A' ' 47' ' ' ILE . 7.2 mp -86.52 -24.91 25.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.486 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -78.87 -41.81 28.96 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.7 -22.78 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.384 0.611 . . . . 0.0 110.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CZ ' HD21 ' C' ' 36' ' ' LEU . 51.3 t80 -74.79 -40.34 61.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.57 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.634 HG21 ' O ' ' A' ' 43' ' ' LEU . 24.0 pt -78.11 -34.3 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.085 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' HB2' ' A' ' 53' ' ' LYS . 44.2 mm-40 -50.38 -64.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.719 170.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.629 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -77.23 -0.33 24.83 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.012 -162.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.672 ' O ' HD21 ' A' ' 51' ' ' LEU . 28.0 m80 -115.73 -5.27 12.12 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.67 -1.612 . . . . 0.0 113.517 168.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD21 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -127.89 -47.96 1.37 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.545 0.611 . . . . 0.0 111.998 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.88 -23.55 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.944 0.402 . . . . 0.0 112.003 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.629 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 7.5 mtmt . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.033 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.345 0.593 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -111.78 131.58 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.911 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.91 151.82 41.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.068 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -65.68 -14.15 60.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.26 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.54 -8.04 59.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.36 -11.8 17.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.309 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.431 ' CD2' HD21 ' B' ' 43' ' ' LEU . 6.2 mp -118.26 -22.54 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.87 130.47 43.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.14 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.69 140.08 49.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.481 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -63.79 132.46 50.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.121 0.486 . . . . 0.0 110.824 -177.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.841 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.45 166.08 6.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.764 -169.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.841 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 60.6 Cg_exo -46.63 -35.41 16.99 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.002 2.468 . . . . 0.0 114.165 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -148.69 -29.71 0.28 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -166.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.734 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 8.2 p -115.76 43.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -167.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HG2' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 28.74 1.42 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -148.81 -24.0 0.31 Allowed 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -165.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 -31.08 0.9 Allowed 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.621 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.36 25.37 39.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.425 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.734 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -142.04 163.87 31.7 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.424 0.63 . . . . 0.0 111.116 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.587 ' O ' ' HB ' ' B' ' 24' ' ' THR . 34.9 mm -125.23 103.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 169.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.37 49.39 4.2 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.704 0.627 . . . . 0.0 110.779 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 3.49 22.45 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.842 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -120.61 143.86 37.28 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-N 114.476 -0.862 . . . . 0.0 111.245 -167.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -53.38 124.78 16.54 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.191 2.594 . . . . 0.0 112.322 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 42.0 t -77.59 138.37 62.91 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.317 -0.856 . . . . 0.0 113.032 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 64.3 Cg_exo -34.7 -59.4 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.972 1 C-N-CA 125.573 4.182 . . . . 0.0 116.056 -177.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.19 -7.37 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.833 -163.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.4 p -130.21 94.01 3.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.4 53.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.63 41.67 4.38 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.617 172.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.458 ' HG2' ' HG2' ' C' ' 49' ' ' LYS . 2.3 mppt? -117.18 -35.64 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.514 . . . . 0.0 109.719 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 110.29 -38.93 3.08 Favored Glycine 0 N--CA 1.438 -1.209 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.414 HG11 ' HA ' ' B' ' 11' ' ' ALA . 29.7 m -111.15 161.43 9.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -124.48 161.63 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.744 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' C' ' 46' ' ' PHE . 4.2 mp -88.98 164.37 15.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.513 0.673 . . . . 0.0 112.703 -172.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -105.19 -178.5 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.434 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.51 98.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.724 0.693 . . . . 0.0 110.536 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.41 -43.94 96.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.701 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.426 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -67.14 -31.8 78.6 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.703 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.52 ' HA ' HD21 ' B' ' 44' ' ' LEU . 3.3 m-85 -70.43 -32.01 69.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.14 . . . . 0.0 111.211 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -69.96 -30.6 68.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.3 0.572 . . . . 0.0 109.988 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.613 ' O ' HG21 ' B' ' 47' ' ' ILE . 7.4 mp -86.58 -24.34 25.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.479 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -79.02 -41.9 27.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.623 -176.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.87 -22.63 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.311 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.468 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 51.5 t80 -74.66 -40.41 61.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.613 HG21 ' O ' ' B' ' 43' ' ' LEU . 25.0 pt -78.21 -34.35 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.001 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.409 ' C ' ' HB2' ' B' ' 53' ' ' LYS . 47.7 mm-40 -50.38 -63.73 1.03 Allowed 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.351 0.596 . . . . 0.0 109.423 170.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 0.5 OUTLIER -76.98 -2.03 31.75 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.138 -162.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.651 ' O ' HD21 ' B' ' 51' ' ' LEU . 28.8 m80 -115.47 -4.86 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 117.432 -1.707 . . . . 0.0 113.451 169.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.651 HD21 ' O ' ' B' ' 50' ' ' HIS . 13.7 mt -128.35 -47.61 1.31 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.343 0.519 . . . . 0.0 112.034 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.76 -21.67 12.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.8 mtmt . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.447 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 121.25 0.548 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.5 131.58 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.959 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.99 150.49 42.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.044 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -63.19 -15.77 58.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.624 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.52 -7.36 59.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.657 -174.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.06 -10.67 17.87 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.272 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.43 ' CD2' HD21 ' C' ' 43' ' ' LEU . 6.2 mp -119.18 -23.11 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.08 130.51 44.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.67 140.15 49.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.486 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.06 132.82 51.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.162 0.506 . . . . 0.0 110.495 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.24 168.28 4.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.284 -0.871 . . . . 0.0 113.245 -169.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.604 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 72.7 Cg_exo -47.3 -37.29 24.32 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.097 2.532 . . . . 0.0 113.701 175.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -147.53 -29.94 0.33 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -166.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.706 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 6.2 p -114.06 41.96 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -166.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.02 27.89 1.51 Allowed 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -148.08 -22.77 0.35 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -165.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.83 -30.37 0.82 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.582 -173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.04 26.75 39.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.442 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.0 OUTLIER -143.46 163.45 33.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.615 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.4 mm -125.43 101.98 9.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 63.21 50.95 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.788 0.68 . . . . 0.0 110.553 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.71 6.28 22.49 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.935 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.4 m -122.93 143.24 40.03 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 114.529 -0.836 . . . . 0.0 111.521 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.47 126.09 20.63 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.427 2.751 . . . . 0.0 112.288 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 51.3 t -80.1 138.64 52.85 Favored Pre-proline 0 N--CA 1.448 -0.53 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.526 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 55.4 Cg_exo -34.09 -59.37 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 1 C-N-CA 125.892 4.394 . . . . 0.0 115.961 -177.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.78 -7.06 7.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.574 -165.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 21.3 p -128.92 92.05 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.58 53.75 0.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.75 43.52 4.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.379 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -118.75 -35.66 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 109.859 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 110.9 -38.6 3.23 Favored Glycine 0 N--CA 1.438 -1.206 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' C' ' 11' ' ' ALA . 30.8 m -112.22 162.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.508 HG22 ' SG ' ' C' ' 12' ' ' CYS . 13.2 pt -124.67 162.14 27.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.91 174.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.454 HD22 HD21 ' C' ' 44' ' ' LEU . 4.2 mp -89.27 164.11 15.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.439 0.638 . . . . 0.0 112.503 -173.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.0 p -105.14 -178.82 3.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.413 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.77 96.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.733 0.697 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.09 -45.02 94.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.95 -31.78 80.59 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.668 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.523 ' HA ' HD21 ' C' ' 44' ' ' LEU . 3.2 m-85 -70.57 -32.31 69.66 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.079 0.151 . . . . 0.0 111.173 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -70.01 -30.49 67.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.224 0.535 . . . . 0.0 110.116 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.64 ' O ' HG21 ' C' ' 47' ' ' ILE . 7.4 mp -86.32 -24.69 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.45 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -78.51 -42.16 30.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -71.61 -23.11 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.449 ' CZ ' HD21 ' B' ' 36' ' ' LEU . 50.3 t80 -74.45 -40.79 61.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.632 174.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.64 HG21 ' O ' ' C' ' 43' ' ' LEU . 24.4 pt -77.82 -33.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.988 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -51.18 -63.48 1.12 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.578 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 0.7 OUTLIER -77.14 -2.18 33.01 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.878 -1.056 . . . . 0.0 112.96 -162.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . 0.675 ' O ' HD21 ' C' ' 51' ' ' LEU . 29.7 m80 -115.43 -4.86 12.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 117.391 -1.724 . . . . 0.0 113.464 169.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.675 HD21 ' O ' ' C' ' 50' ' ' HIS . 13.3 mt -128.7 -47.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.269 0.486 . . . . 0.0 112.183 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -21.89 12.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.578 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.6 mtmt . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.502 176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.482 0.658 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -112.67 136.94 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.17 146.59 49.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.543 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.36 -16.36 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.525 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.2 -4.17 56.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.75 -16.08 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.778 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.33 -16.08 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 110.728 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.563 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 44.9 mt-10 -138.36 135.4 35.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.321 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 144.23 37.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.84 130.47 44.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.107 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.881 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 40.5 t -60.0 155.28 44.67 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.876 -168.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.881 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 57.4 Cg_exo -42.12 -25.5 0.41 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.168 3.245 . . . . 0.0 115.505 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -153.97 -34.71 0.1 Allowed 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -168.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -117.62 45.27 1.97 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -166.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.45 29.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.917 0.865 . . . . 0.0 108.798 -175.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -148.85 -29.6 0.27 Allowed 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -162.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.57 -38.79 2.49 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.607 -172.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.412 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.28 17.19 37.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 119.972 -1.109 . . . . 0.0 112.877 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.84 166.43 32.72 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 24' ' ' THR . 36.2 mt -141.44 126.37 17.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 54.28 42.32 31.54 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.708 0.63 . . . . 0.0 110.741 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -2.56 21.25 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.845 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.638 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 1.1 t -120.32 160.3 44.18 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 117.678 0.739 . . . . 0.0 111.699 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.638 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 14.4 Cg_endo -54.11 136.88 69.04 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.871 2.381 . . . . 0.0 112.035 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 12.0 t -87.55 140.14 31.74 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.6 -170.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -26.5 -52.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 1 C-N-CA 126.068 4.512 . . . . 0.0 116.34 -177.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.31 -1.27 4.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -168.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 25.3 p -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.053 0.454 . . . . 0.0 110.251 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -85.78 58.43 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.412 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 89.69 48.68 3.6 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.185 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 14.2 mtpp -122.61 -40.37 2.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -172.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.27 -40.39 2.55 Favored Glycine 0 N--CA 1.434 -1.491 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.0 167.75 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 0.0 112.136 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.58 163.85 35.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.922 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD23 HD22 ' A' ' 44' ' ' LEU . 4.9 mp -88.04 163.9 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -172.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.458 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 59.7 p -106.21 174.96 5.66 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.431 -1.259 . . . . 0.0 108.172 172.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.04 82.02 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.884 0.765 . . . . 0.0 111.093 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -52.25 -52.49 52.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.86 -30.81 78.97 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 113.34 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD22 ' A' ' 44' ' ' LEU . 6.8 m-85 -69.29 -33.31 73.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.078 0.439 . . . . 0.0 111.146 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -69.43 -30.68 68.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.722 0.772 . . . . 0.0 109.915 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.2 mp -87.23 -12.74 45.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.509 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -84.97 -44.04 13.46 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.026 -0.669 . . . . 0.0 110.067 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.23 -23.31 61.98 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.177 0.513 . . . . 0.0 110.099 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.6 -43.22 60.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.055 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 43' ' ' LEU . 21.4 pt -79.36 -28.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.918 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 20.3 mm-40 -58.12 -52.36 65.87 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 19.7 ttpt -79.32 -3.41 45.99 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.968 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -117.57 -0.76 11.8 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 116.938 -1.905 . . . . 0.0 113.823 168.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' ND2' ' C' ' 52' ' ' ASN . 3.7 mm? -116.15 -29.51 6.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.148 0.499 . . . . 0.0 111.17 173.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.428 ' ND2' HD13 ' B' ' 51' ' ' LEU . 2.2 m-80 -136.74 -30.68 0.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.312 -164.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.688 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 16.3 mtmt . . . . . 0 C--O 1.247 0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.423 0.63 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -115.91 136.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 146.38 49.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.302 171.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -61.58 -16.06 44.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.613 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.13 -4.64 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.426 -175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -103.11 -15.66 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.031 0.443 . . . . 0.0 110.741 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.1 -15.88 12.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.097 0.475 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.534 ' OE1' ' HE3' ' C' ' 49' ' ' LYS . 45.0 mt-10 -138.35 137.83 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.274 175.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.77 145.25 35.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.47 131.19 46.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.268 0.556 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.901 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 14.3 t -58.61 155.86 26.97 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.064 -169.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.901 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 57.6 Cg_exo -42.56 -26.49 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.278 3.319 . . . . 0.0 115.014 177.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -153.75 -33.56 0.11 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -169.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.81 46.46 1.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -167.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.449 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.3 28.92 1.33 Allowed 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -176.303 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -148.92 -29.26 0.27 Allowed 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -163.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.84 2.75 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.563 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.412 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.99 18.81 38.62 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.406 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -158.19 166.12 33.21 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.61 ' O ' HG22 ' B' ' 24' ' ' THR . 30.9 mt -142.18 126.45 16.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 54.45 42.05 31.6 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 123.896 0.747 . . . . 0.0 110.619 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.84 -1.84 28.55 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.954 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.61 HG22 ' O ' ' B' ' 21' ' ' ILE . 2.8 t -121.08 158.16 53.42 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 117.374 0.587 . . . . 0.0 111.556 -172.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . 0.607 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 13.5 Cg_endo -53.95 133.59 55.57 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.844 2.363 . . . . 0.0 111.681 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.438 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 32.3 t -85.22 141.84 37.6 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.54 -170.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 62.5 Cg_exo -26.69 -51.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 126.206 4.604 . . . . 0.0 116.683 -177.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -1.62 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -169.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 19.9 p -136.7 100.64 4.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -82.08 58.28 3.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.211 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.412 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 89.67 47.86 3.85 Favored Glycine 0 CA--C 1.505 -0.534 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.172 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 14.6 mtpp -121.54 -40.75 2.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -171.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.83 -39.88 2.71 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.49 168.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.207 0.527 . . . . 0.0 112.098 -176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 pt -130.81 163.94 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.801 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.455 HD23 HD22 ' B' ' 44' ' ' LEU . 4.8 mp -87.94 163.96 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -172.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.437 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 44.8 p -106.18 174.9 5.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.178 172.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.98 76.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.826 0.739 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -51.89 -52.98 45.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.536 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.24 -30.96 79.29 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.235 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.526 ' HA ' HD22 ' B' ' 44' ' ' LEU . 6.1 m-85 -69.4 -33.2 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.128 0.464 . . . . 0.0 111.188 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -69.18 -31.04 69.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.763 0.792 . . . . 0.0 109.983 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.532 ' O ' HG23 ' B' ' 47' ' ' ILE . 4.2 mp -87.13 -12.79 46.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.528 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.526 HD22 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -84.91 -44.16 13.42 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.041 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.26 -23.1 61.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.07 0.462 . . . . 0.0 110.117 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.79 -43.59 58.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.073 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.532 HG23 ' O ' ' B' ' 43' ' ' LEU . 21.3 pt -79.26 -28.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.844 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 21.2 mm-40 -58.16 -52.0 67.38 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.715 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 21.0 ttpt -79.63 -3.33 46.66 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.971 -167.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -117.5 -0.75 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 116.928 -1.909 . . . . 0.0 113.847 168.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.456 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.8 mm? -116.11 -29.43 6.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.287 0.565 . . . . 0.0 111.032 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.459 ' ND2' HD13 ' C' ' 51' ' ' LEU . 2.2 m-80 -136.44 -31.15 0.89 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.07 -164.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.715 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 16.1 mtmt . . . . . 0 C--O 1.249 1.066 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 121.299 0.571 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -113.31 137.74 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.8 146.65 50.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.655 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.14 -16.39 43.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.582 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.89 -4.7 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.536 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -102.76 -16.43 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.0 110.644 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.05 -16.05 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 110.853 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . 0.527 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 45.2 mt-10 -137.68 138.02 38.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.066 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.8 p -128.85 145.11 36.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.475 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.24 130.7 44.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.85 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.887 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 16.5 t -58.94 154.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.093 -169.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.887 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 49.3 Cg_exo -41.41 -26.58 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.415 3.41 . . . . 0.0 115.32 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -153.25 -34.32 0.11 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 17.0 p -117.9 45.27 2.0 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -165.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.475 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.99 29.03 1.43 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -175.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -148.74 -27.24 0.3 Allowed 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -163.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.77 -35.36 2.31 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.898 -1.047 . . . . 0.0 112.897 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . 0.444 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 92.69 17.28 45.54 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.569 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.87 164.64 37.84 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.599 ' O ' HG22 ' C' ' 24' ' ' THR . 33.5 mt -141.53 126.03 17.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 54.46 43.63 30.05 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.895 0.747 . . . . 0.0 111.064 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.73 -0.1 22.33 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.938 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.624 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 2.9 t -122.74 158.99 55.28 Favored Pre-proline 0 C--O 1.239 0.535 0 CA-C-N 117.507 0.654 . . . . 0.0 111.511 -173.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . 0.624 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 12.9 Cg_endo -53.11 136.44 61.49 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.975 2.45 . . . . 0.0 111.622 174.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 t -88.66 141.24 29.98 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.287 -170.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -25.48 -51.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.064 1 C-N-CA 126.271 4.647 . . . . 0.0 116.615 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.39 -1.23 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' C' ' 32' ' ' LYS . 20.0 p -137.02 100.68 4.35 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.532 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -80.47 57.94 3.01 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.142 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . 0.444 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.41 48.93 3.84 Favored Glycine 0 CA--C 1.504 -0.645 0 C-N-CA 120.166 -1.016 . . . . 0.0 111.156 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 15.0 mtpp -121.21 -41.35 2.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -172.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.52 -40.12 2.61 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.42 167.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.224 0.535 . . . . 0.0 112.152 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 pt -130.14 164.14 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.787 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.472 HD23 HD22 ' C' ' 44' ' ' LEU . 4.8 mp -88.2 163.81 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' THR . . . . . 0.446 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 68.3 p -106.0 175.58 5.45 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.41 -1.268 . . . . 0.0 108.25 172.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.19 84.01 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.018 0.826 . . . . 0.0 111.054 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -51.91 -52.85 47.09 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.481 172.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.49 -31.12 79.82 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.307 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.52 ' HA ' HD22 ' C' ' 44' ' ' LEU . 6.1 m-85 -69.35 -33.04 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.109 0.455 . . . . 0.0 111.165 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -69.71 -30.72 68.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.633 0.73 . . . . 0.0 110.068 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.517 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.2 mp -87.06 -13.21 44.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.576 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -84.22 -44.4 13.95 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.976 -179.518 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.21 -23.03 61.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.108 0.48 . . . . 0.0 110.118 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -73.81 -43.46 58.73 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.144 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.517 HG23 ' O ' ' C' ' 43' ' ' LEU . 21.4 pt -79.36 -28.91 13.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 21.0 mm-40 -57.81 -52.12 66.76 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 168.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.712 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 19.6 ttpt -79.28 -4.02 48.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.082 -167.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -117.32 -0.36 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 116.932 -1.907 . . . . 0.0 113.778 169.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.459 HD13 ' ND2' ' B' ' 52' ' ' ASN . 3.7 mm? -116.88 -27.63 6.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.249 0.547 . . . . 0.0 111.249 173.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . 0.474 ' ND2' HD13 ' A' ' 51' ' ' LEU . 2.5 m-80 -139.54 -29.07 0.75 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.394 -163.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.712 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 15.7 mtmt . . . . . 0 C--O 1.248 0.995 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -134.99 135.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.222 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.15 150.94 41.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.002 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 m -67.9 -14.13 62.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.045 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.03 -6.55 58.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -103.79 -12.67 16.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.76 -18.19 11.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.557 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' OE2' ' HE1' ' B' ' 50' ' ' HIS . 23.3 mt-10 -137.1 136.77 38.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.182 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.41 145.21 36.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.62 131.4 47.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.135 0.493 . . . . 0.0 110.896 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.713 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.25 171.07 1.77 Allowed Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 124.165 0.986 . . . . 0.0 113.33 -171.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.713 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 59.2 Cg_exo -47.96 -41.6 32.61 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.286 2.657 . . . . 0.0 114.442 173.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -146.34 -25.83 0.43 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -165.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 25.7 p -115.27 40.98 2.55 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -168.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -90.66 35.68 0.89 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.626 -178.667 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -149.37 -23.92 0.29 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.25 -28.92 1.86 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.47 49.78 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.266 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.64 155.72 41.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.509 . . . . 0.0 111.062 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.503 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.6 mm -123.57 103.46 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.87 48.58 3.12 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.042 0.839 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.52 9.83 20.05 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.732 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -122.74 145.81 46.3 Favored Pre-proline 0 C--N 1.305 -1.344 0 CA-C-N 114.376 -0.912 . . . . 0.0 110.681 -170.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.54 135.17 68.84 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 0.0 111.979 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 45.6 t -90.84 137.35 26.87 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 66.9 Cg_exo -31.45 -60.11 0.17 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 126.16 4.573 . . . . 0.0 116.47 -177.168 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.19 -6.6 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.422 0.63 . . . . 0.0 111.377 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 30.0 p -130.6 88.67 2.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.742 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -75.76 55.34 0.86 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.238 0.542 . . . . 0.0 111.457 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.88 46.05 2.53 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.276 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -117.52 -43.86 2.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.466 0.65 . . . . 0.0 109.518 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.63 -38.14 3.2 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -174.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -112.67 163.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.89 0.376 . . . . 0.0 111.802 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 HG21 ' SG ' ' A' ' 12' ' ' CYS . 9.6 pt -124.12 159.98 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.645 175.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.35 161.99 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.814 0.816 . . . . 0.0 112.999 -171.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -106.03 174.89 5.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.319 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.96 80.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.507 0.594 . . . . 0.0 111.405 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.53 -42.48 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.781 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.74 -30.22 70.71 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.542 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.9 m-85 -69.51 -32.93 72.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.402 0.144 . . . . 0.0 111.163 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.34 0.59 . . . . 0.0 110.448 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' HG21 ' A' ' 47' ' ' ILE . 6.1 mp -87.58 -16.9 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -82.73 -45.83 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.963 -177.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.47 -21.58 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.047 0.451 . . . . 0.0 110.551 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.38 -40.35 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.584 HG21 ' O ' ' A' ' 43' ' ' LEU . 29.9 pt -77.55 -31.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.113 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.0 mm-40 -52.59 -58.16 7.68 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.89 0.78 22.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.256 -164.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.646 ' O ' HD22 ' A' ' 51' ' ' LEU . 12.2 m-70 -114.61 -10.96 12.44 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 117.618 -1.633 . . . . 0.0 114.253 168.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.646 HD22 ' O ' ' A' ' 50' ' ' HIS . 19.0 mt -127.68 -42.22 1.63 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.108 0.867 . . . . 0.0 111.895 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -106.06 -25.31 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.417 . . . . 0.0 111.927 -173.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.63 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.9 mtmm . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.236 -0.887 . . . . 0.0 109.015 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 121.662 0.744 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.42 HG21 ' HG3' ' C' ' 39' ' ' GLN . 16.2 tt -136.43 135.48 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.231 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.88 149.8 42.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.788 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.5 m -66.53 -14.26 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.758 -176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.15 -6.04 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.373 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -103.61 -12.95 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.99 -17.99 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.481 ' OE2' ' HE1' ' C' ' 50' ' ' HIS . 22.8 mt-10 -137.33 136.32 37.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.158 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.53 145.43 35.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.549 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -64.05 131.41 47.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.061 0.457 . . . . 0.0 111.221 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.794 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.6 OUTLIER -61.6 168.02 3.75 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.118 0.967 . . . . 0.0 113.141 -172.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.794 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 54.3 Cg_exo -46.59 -39.8 23.22 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.5 2.133 . . . . 0.0 114.146 171.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -146.01 -24.52 0.45 Allowed 'General case' 0 C--N 1.347 0.486 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -116.59 41.38 2.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -168.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.549 ' HG2' ' HB3' ' B' ' 11' ' ' ALA . 0.4 OUTLIER -90.33 34.48 0.87 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.411 0.624 . . . . 0.0 110.685 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -150.25 -25.95 0.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.98 -39.67 2.08 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.84 23.64 25.06 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 119.556 -1.307 . . . . 0.0 113.69 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.551 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.0 pt-20 -152.95 159.16 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.129 0.465 . . . . 0.0 110.888 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.437 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.3 mm -124.29 102.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 64.06 49.69 2.66 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 124.163 0.914 . . . . 0.0 111.436 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.74 10.11 23.06 Favored Glycine 0 N--CA 1.467 0.727 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.828 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -124.39 143.73 43.85 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 114.46 -0.87 . . . . 0.0 110.44 -169.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -55.8 134.08 61.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.825 2.35 . . . . 0.0 112.436 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.2 t -89.29 134.6 32.62 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -29.69 -57.99 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 1 C-N-CA 126.617 4.878 . . . . 0.0 116.765 -176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.16 -8.63 9.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.748 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 21.8 p -130.88 93.49 3.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 58.52 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 46.57 2.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.609 -0.723 . . . . 0.0 113.318 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 44.5 mtmt -119.24 -44.76 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.627 0.727 . . . . 0.0 109.257 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 117.31 -38.57 2.93 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.85 163.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.935 0.397 . . . . 0.0 111.864 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 pt -124.04 159.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.412 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.457 HD22 HD23 ' B' ' 44' ' ' LEU . 4.3 mp -87.25 161.98 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -105.86 173.45 6.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.539 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.38 70.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 118.33 0.514 . . . . 0.0 111.638 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.11 -44.2 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.655 0.264 . . . . 0.0 110.731 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.4 -28.43 71.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.534 ' HA ' HD23 ' B' ' 44' ' ' LEU . 11.4 m-85 -69.37 -32.24 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.576 0.227 . . . . 0.0 110.966 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -71.14 -31.27 67.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.499 0.666 . . . . 0.0 109.965 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.595 ' O ' HG21 ' B' ' 47' ' ' ILE . 6.2 mp -87.21 -20.01 27.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.433 -176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -80.83 -45.46 16.86 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.596 -0.69 . . . . 0.0 110.304 -177.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.61 -21.39 60.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.421 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -74.09 -40.47 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.673 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.595 HG21 ' O ' ' B' ' 43' ' ' LEU . 28.0 pt -77.62 -31.31 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.985 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -52.19 -58.6 6.13 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.648 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 25.7 ttmt -77.55 0.86 21.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.312 -164.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.655 ' O ' HD22 ' B' ' 51' ' ' LEU . 11.5 m-70 -114.56 -9.45 12.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.073 168.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.655 HD22 ' O ' ' B' ' 50' ' ' HIS . 23.7 mt -129.21 -42.81 1.34 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.024 0.829 . . . . 0.0 111.877 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -106.34 -23.41 12.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 0.0 111.899 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.648 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.456 -0.783 . . . . 0.0 109.187 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.804 0.811 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.0 tt -136.86 134.82 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.29 149.24 43.99 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.778 174.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -65.22 -14.53 60.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.236 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.6 -6.31 58.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.31 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -104.08 -11.7 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.38 -17.84 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.786 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . 0.437 ' OE2' ' HE1' ' A' ' 50' ' ' HIS . 23.2 mt-10 -137.57 135.37 36.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.047 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.57 144.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.2 131.44 47.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.418 0.627 . . . . 0.0 111.127 -176.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.688 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.51 171.44 1.73 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.507 -170.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.688 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 67.6 Cg_exo -49.0 -41.82 39.41 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.888 2.392 . . . . 0.0 114.259 173.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.98 -26.59 0.48 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -165.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 28.6 p -115.31 41.44 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 118.992 -1.083 . . . . 0.0 113.829 -168.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -89.53 35.3 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -149.25 -25.57 0.29 Allowed 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.96 -33.29 2.23 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 115.431 -0.804 . . . . 0.0 113.033 -169.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.75 25.59 37.91 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.405 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -150.97 156.05 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.153 0.502 . . . . 0.0 111.328 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.566 ' O ' ' HB ' ' C' ' 24' ' ' THR . 33.2 mm -123.12 102.2 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 175.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 64.45 50.22 2.28 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.312 1.007 . . . . 0.0 111.285 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 12.06 25.38 Favored Glycine 0 N--CA 1.465 0.618 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.72 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -125.54 144.43 47.97 Favored Pre-proline 0 C--N 1.303 -1.444 0 CA-C-N 114.34 -0.93 . . . . 0.0 110.553 -168.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -57.47 132.37 50.2 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.731 2.287 . . . . 0.0 112.463 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.559 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 53.3 t -89.26 135.64 31.08 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -170.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 60.1 Cg_exo -30.29 -58.55 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 126.511 4.808 . . . . 0.0 116.846 -176.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.33 -6.88 9.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.403 0.62 . . . . 0.0 111.271 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.8 p -130.87 89.86 2.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.775 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -76.96 56.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 111.213 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.15 46.1 2.68 Favored Glycine 0 N--CA 1.441 -0.969 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.052 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' C' ' 32' ' ' LYS . 42.8 mtmt -117.49 -43.93 2.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.5 0.667 . . . . 0.0 109.274 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 115.8 -38.18 3.17 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.93 164.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 111.728 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.447 HG21 ' SG ' ' C' ' 12' ' ' CYS . 8.7 pt -124.16 160.0 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.621 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.475 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -87.48 161.58 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.746 0.784 . . . . 0.0 113.082 -171.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -105.7 174.79 5.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.508 -1.224 . . . . 0.0 108.19 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.63 78.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.411 0.551 . . . . 0.0 111.455 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' B' ' 3' ' ' ILE . 53.9 tt0 -59.44 -44.37 92.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.56 -27.97 71.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.845 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.531 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.9 m-85 -69.56 -32.03 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.541 0.21 . . . . 0.0 110.897 175.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.2 m -71.08 -32.12 68.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.453 0.644 . . . . 0.0 110.009 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.577 ' O ' HG21 ' C' ' 47' ' ' ILE . 6.3 mp -87.19 -19.12 28.88 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.502 -175.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.9 OUTLIER -81.19 -45.14 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.377 -178.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.59 -22.35 60.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 0.0 110.489 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.84 -40.0 63.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.554 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.577 HG21 ' O ' ' C' ' 43' ' ' LEU . 28.5 pt -77.67 -31.38 17.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.24 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -50.87 -58.95 4.7 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 28.3 ttmt -77.87 0.7 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.211 -163.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . 0.63 ' O ' HD22 ' C' ' 51' ' ' LEU . 12.1 m-70 -114.75 -9.74 12.5 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 117.45 -1.7 . . . . 0.0 114.167 168.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.63 HD22 ' O ' ' C' ' 50' ' ' HIS . 22.3 mt -127.63 -43.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.004 0.82 . . . . 0.0 111.859 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.58 -24.65 12.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.573 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.58 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 8.2 mtmm . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.549 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 121.444 0.64 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.62 136.8 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.308 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.27 163.35 16.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 m -65.98 -13.82 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.333 0.587 . . . . 0.0 110.066 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.77 -5.59 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.51 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.7 -0.42 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.272 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.531 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -121.59 -26.54 4.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.653 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -146.77 152.08 38.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.397 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.87 144.56 36.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.187 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 34' ' ' VAL . . . -64.17 134.47 54.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.13 0.491 . . . . 0.0 110.623 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.638 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.2 m -56.32 165.86 1.39 Allowed Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -171.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -51.37 -32.55 42.56 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.975 2.45 . . . . 0.0 113.187 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -152.24 -29.7 0.16 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 p -115.66 41.78 2.44 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -167.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -91.81 28.03 1.91 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -177.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -148.68 -24.22 0.32 Allowed 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -164.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.32 -36.13 1.5 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.116 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.15 20.0 44.11 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.95 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.41 162.96 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.557 ' O ' ' HB ' ' A' ' 24' ' ' THR . 26.8 mm -127.8 108.37 17.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 60.74 45.47 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.356 0.41 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.07 4.96 17.51 Favored Glycine 0 CA--C 1.509 -0.322 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.519 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.65 146.45 39.92 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.173 -170.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.49 133.8 58.37 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.126 2.55 . . . . 0.0 111.975 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 46.9 t -85.71 140.06 35.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.53 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.4 Cg_exo -31.39 -53.67 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 125.71 4.273 . . . . 0.0 116.115 -178.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -3.27 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -167.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 13.8 p -130.61 105.88 8.12 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 p -82.14 50.84 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.957 -0.464 . . . . 0.0 112.244 -177.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.88 39.9 5.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.15 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -110.93 -39.9 4.67 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.8 -38.85 2.86 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.57 163.67 12.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.638 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.0 pt -124.34 161.24 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.256 173.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.477 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -87.08 156.53 19.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -173.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.12 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.02 169.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.51 -44.54 85.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.699 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.54 -30.23 73.04 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.79 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.546 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.9 m-85 -69.2 -32.34 71.55 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.828 -0.219 . . . . 0.0 110.854 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 m -70.44 -35.42 73.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.313 0.578 . . . . 0.0 110.856 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.529 ' O ' HG21 ' A' ' 47' ' ' ILE . 6.3 mp -86.45 -13.3 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.449 -174.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -82.35 -42.63 18.46 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.744 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.24 -25.12 63.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.975 0.417 . . . . 0.0 110.673 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 63.6 t80 -74.87 -39.39 61.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 43' ' ' LEU . 22.8 pt -79.61 -31.63 14.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.564 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 84.6 mm-40 -55.29 -58.14 8.92 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.831 168.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 27.7 ttpt -79.0 1.17 24.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.005 -165.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.424 ' NE2' HD23 ' C' ' 36' ' ' LEU . 62.0 m80 -117.42 -1.31 11.76 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.794 -1.562 . . . . 0.0 114.033 164.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' C' ' 52' ' ' ASN . 3.4 mm? -121.98 -42.89 2.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.744 0.702 . . . . 0.0 111.346 175.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' OD1' HD13 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -124.06 -19.79 5.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -166.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.593 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.568 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.453 0.644 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.424 HG21 ' HG3' ' C' ' 39' ' ' GLN . 16.8 tt -122.97 137.38 56.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.263 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.71 164.16 15.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.2 m -65.43 -13.51 58.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.511 . . . . 0.0 110.241 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.7 -6.08 59.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.738 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.9 0.46 38.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.188 0.518 . . . . 0.0 109.978 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.0 mt -123.43 -27.34 4.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -146.83 151.02 36.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.12 146.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.976 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' B' ' 34' ' ' VAL . . . -64.12 134.46 54.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.518 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -58.41 165.03 3.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.081 -0.963 . . . . 0.0 113.185 -171.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 91.0 Cg_exo -51.36 -30.81 35.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.843 2.362 . . . . 0.0 113.965 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -151.31 -31.0 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -165.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 24.2 p -116.28 43.14 2.24 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -169.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -91.18 27.42 1.89 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.032 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -147.97 -27.19 0.34 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -164.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.66 -35.3 2.14 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.105 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.78 50.56 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.968 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 6.2 pt-20 -149.9 158.86 44.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.471 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.4 mm -125.97 107.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 59.9 43.62 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.322 0.389 . . . . 0.0 111.119 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.07 2.82 20.22 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.427 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -118.28 144.43 35.0 Favored Pre-proline 0 C--N 1.309 -1.188 0 CA-C-N 115.191 -0.505 . . . . 0.0 111.044 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.21 127.97 28.0 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.596 2.864 . . . . 0.0 112.622 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.426 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.2 t -79.28 138.0 56.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -171.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -30.36 -54.1 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.049 1 C-N-CA 125.926 4.418 . . . . 0.0 116.06 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.56 -3.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -167.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 14.9 p -132.76 103.99 6.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -82.02 51.67 1.81 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.5 43.16 4.34 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.884 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -114.3 -40.34 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.26 -39.75 2.56 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -177.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' B' ' 11' ' ' ALA . 34.3 m -114.2 163.0 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 pt -124.54 161.04 28.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.179 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.474 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -87.38 156.49 19.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.188 0.811 . . . . 0.0 113.188 -172.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -107.15 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.122 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.05 -45.69 68.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.96 -45.72 86.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.969 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 -30.05 75.03 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.062 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.527 ' HA ' HD23 ' B' ' 44' ' ' LEU . 10.5 m-85 -69.51 -32.76 71.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.726 -0.279 . . . . 0.0 110.959 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.61 -35.2 75.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.331 0.586 . . . . 0.0 110.74 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.54 ' O ' HG21 ' B' ' 47' ' ' ILE . 6.0 mp -86.45 -14.07 44.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.691 -174.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -82.63 -41.88 18.89 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.054 -0.658 . . . . 0.0 109.822 179.181 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.26 -25.17 63.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.635 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 63.5 t80 -74.85 -39.75 61.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.248 176.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.54 HG21 ' O ' ' B' ' 43' ' ' LEU . 23.2 pt -79.51 -31.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.465 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 83.4 mm-40 -55.42 -58.67 6.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 168.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.599 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 26.7 ttpt -78.41 1.01 23.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.001 -165.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.439 ' NE2' HD23 ' A' ' 36' ' ' LEU . 62.6 m80 -117.23 -1.36 11.84 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 117.965 -1.494 . . . . 0.0 114.049 164.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.442 HD13 ' OD1' ' A' ' 52' ' ' ASN . 3.4 mm? -122.17 -43.01 2.34 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.765 0.711 . . . . 0.0 111.304 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -125.37 -17.88 5.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -166.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.599 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 10.3 mtmt . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.305 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -122.77 137.31 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.91 16.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.3 m -66.21 -13.21 59.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.188 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.55 -6.33 59.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -101.88 2.3 37.94 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.116 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.3 mt -123.96 -27.92 3.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.696 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . 0.459 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 23.1 mt-10 -146.71 151.72 37.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.37 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -132.31 145.48 34.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' C' ' 34' ' ' VAL . . . -64.62 133.05 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 110.764 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.613 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -57.03 165.06 1.97 Allowed Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.296 -0.865 . . . . 0.0 113.178 -170.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.613 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 82.3 Cg_exo -51.75 -28.33 29.86 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.066 2.51 . . . . 0.0 114.493 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -153.4 -31.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -166.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' C' ' 26' ' ' CYS . 27.7 p -117.01 43.89 2.19 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.931 -1.108 . . . . 0.0 113.852 -166.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.23 26.39 2.22 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.463 -0.79 . . . . 0.0 108.941 -177.668 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -147.72 -25.04 0.37 Allowed 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -164.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.95 -34.3 1.94 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.954 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.59 19.44 51.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.89 159.62 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 111.014 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' C' ' 24' ' ' THR . 28.2 mm -125.75 107.7 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 59.15 45.25 14.73 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.226 0.329 . . . . 0.0 111.161 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.63 5.66 18.87 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.466 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -118.71 145.77 38.41 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.247 -0.476 . . . . 0.0 111.007 -172.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -53.92 133.1 53.19 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.397 2.731 . . . . 0.0 112.221 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.6 t -85.58 137.46 36.31 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -170.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 48.6 Cg_exo -30.11 -53.35 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.958 1 C-N-CA 126.02 4.48 . . . . 0.0 116.191 -177.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.19 -1.59 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.47 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 15.3 p -133.2 103.73 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -80.37 51.39 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.65 4.84 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.213 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -113.09 -39.42 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 116.92 -39.31 2.71 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -114.16 163.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 112.198 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 11.5 pt -124.86 160.98 29.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.159 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.459 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -87.2 156.54 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -107.41 175.22 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.122 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.89 67.42 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . 0.424 ' HG3' HG21 ' B' ' 3' ' ' ILE . 14.8 tt0 -58.69 -43.99 90.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.766 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . 0.435 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.06 -30.65 74.09 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.998 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.4 m-85 -69.38 -32.85 72.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.703 -0.292 . . . . 0.0 110.977 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.82 -35.18 74.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.333 0.587 . . . . 0.0 110.789 173.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.532 ' O ' HG21 ' C' ' 47' ' ' ILE . 6.1 mp -86.49 -14.33 43.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.78 -174.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.11 -42.11 19.59 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.689 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.07 -25.25 63.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.0 0.428 . . . . 0.0 110.78 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 63.3 t80 -75.02 -40.04 60.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.331 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.532 HG21 ' O ' ' C' ' 43' ' ' LEU . 22.7 pt -79.4 -31.35 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.497 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 83.9 mm-40 -55.28 -58.7 6.62 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.713 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.612 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.7 ttpt -78.85 0.92 25.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.373 -0.83 . . . . 0.0 113.002 -165.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -116.75 -1.61 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.901 -1.52 . . . . 0.0 113.947 164.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' B' ' 52' ' ' ASN . 3.4 mm? -121.69 -45.32 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.992 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.38 -17.28 6.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -166.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.612 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.338 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.96 137.2 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.632 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 147.72 49.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.532 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.58 -18.88 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.527 -175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.07 -2.34 55.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.218 -174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -101.38 -21.25 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.42 -10.41 15.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 0.0 110.609 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 42.4 mt-10 -141.03 142.99 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.521 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.57 142.62 43.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.802 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.12 131.55 47.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.181 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.867 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 49.3 t -62.7 153.88 76.77 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.267 -169.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.867 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 Cg_exo -38.37 -36.46 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.585 2.856 . . . . 0.0 114.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HD3' HG23 ' A' ' 21' ' ' ILE . 63.1 tttp -143.64 -30.59 0.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -166.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 20.2 p -117.05 47.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -169.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.86 27.61 1.76 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -177.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -148.53 -26.82 0.32 Allowed 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -39.9 2.41 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.937 -169.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.511 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 94.49 14.28 51.06 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.966 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.6 pt-20 -153.01 164.54 37.8 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.485 ' O ' HG21 ' A' ' 24' ' ' THR . 16.9 mt -132.98 121.67 44.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 172.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.85 42.13 31.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 123.972 0.795 . . . . 0.0 110.757 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.2 -2.68 50.76 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.752 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.597 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -119.17 160.91 39.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 O-C-N 122.693 -0.298 . . . . 0.0 111.559 -173.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.597 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -57.09 137.59 82.55 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.018 2.479 . . . . 0.0 111.814 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 40.7 t -91.09 140.98 26.03 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -171.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 46.9 Cg_exo -27.42 -52.55 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.041 1 C-N-CA 126.274 4.649 . . . . 0.0 116.717 -178.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 -5.21 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -167.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -132.94 99.43 4.58 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.3 m -77.92 55.85 1.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.05 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.511 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 88.75 47.12 4.34 Favored Glycine 0 CA--C 1.504 -0.641 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.507 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -119.05 -37.38 3.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -172.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.42 -39.56 2.82 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.7 m -125.77 169.27 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.068 0.461 . . . . 0.0 111.989 -176.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 pt -129.25 161.07 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.843 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD21 HD21 ' A' ' 44' ' ' LEU . 4.6 mp -87.6 164.41 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 44.9 p -106.19 177.75 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.362 173.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.98 77.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.454 0.57 . . . . 0.0 111.7 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.88 -41.01 95.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.69 0.281 . . . . 0.0 110.812 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.18 73.78 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.575 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.526 ' HA ' HD21 ' A' ' 44' ' ' LEU . 6.3 m-85 -69.75 -33.02 71.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.779 -0.211 . . . . 0.0 110.919 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.06 -32.38 70.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.301 0.572 . . . . 0.0 110.537 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 47' ' ' ILE . 5.1 mp -86.41 -14.1 44.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.723 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -83.59 -40.2 19.37 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.836 179.008 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.38 -23.13 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.437 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.431 ' CE1' ' HG3' ' C' ' 9' ' ' GLU . 1.6 t80 -73.83 -44.26 56.19 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.403 0.621 . . . . 0.0 110.015 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 43' ' ' LEU . 19.1 pt -79.84 -28.31 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.48 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.1 mm-40 -54.89 -58.69 6.57 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.443 0.64 . . . . 0.0 109.525 166.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.692 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 9.1 ttpt -78.96 -3.0 42.78 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.181 -165.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -117.74 -0.63 11.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 116.719 -1.992 . . . . 0.0 113.979 168.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' HB ' ' C' ' 47' ' ' ILE . 3.6 mm? -119.01 -33.34 4.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.389 0.541 . . . . 0.0 111.31 172.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.71 -30.77 2.75 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -167.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.692 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 8.6 mtmm . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.635 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.507 0.67 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 tt -130.07 137.26 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.18 147.72 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.534 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -61.82 -19.42 62.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.358 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -83.25 -1.66 53.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.299 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 -20.42 14.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -109.06 -10.22 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 110.627 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.433 ' HG3' ' CE1' ' C' ' 46' ' ' PHE . 42.5 mt-10 -141.04 143.17 34.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.599 174.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.86 142.75 42.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.027 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' B' ' 34' ' ' VAL . . . -65.48 133.4 51.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 1.009 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 50.9 t -71.14 154.67 93.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.701 -166.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 1.009 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.7 Cg_exo -36.24 -42.9 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 124.217 3.278 . . . . 0.0 114.797 -177.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.466 ' HD3' HG23 ' B' ' 21' ' ' ILE . 58.9 tttp -140.26 -26.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.693 -168.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' B' ' 26' ' ' CYS . 14.7 p -116.09 109.9 18.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.919 0.866 . . . . 0.0 111.561 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -152.84 15.45 0.56 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -177.124 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -148.49 -30.17 0.28 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.272 -159.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.91 -39.72 2.81 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.977 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.66 39.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.238 -0.982 . . . . 0.0 111.852 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 2.2 pt-20 -154.27 170.83 20.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.466 HG23 ' HD3' ' B' ' 14' ' ' LYS . 13.6 mt -138.41 122.52 21.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 171.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.55 43.44 30.27 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.075 0.859 . . . . 0.0 110.372 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.42 0.72 39.87 Favored Glycine 0 CA--C 1.522 0.515 0 CA-C-N 116.181 -0.463 . . . . 0.0 113.973 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.552 ' OG1' ' HD2' ' B' ' 25' ' ' PRO . 0.5 OUTLIER -120.0 159.97 44.83 Favored Pre-proline 0 C--N 1.319 -0.755 0 O-C-N 122.578 -0.366 . . . . 0.0 111.648 -172.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . 0.552 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 19.2 Cg_endo -58.16 135.33 67.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.012 2.475 . . . . 0.0 111.54 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.687 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 53.0 t -91.58 140.76 25.33 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.505 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.571 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.4 Cg_exo -27.36 -53.51 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 126.34 4.693 . . . . 0.0 116.385 -177.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.93 -4.38 4.55 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -167.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 32.0 p -135.48 105.4 6.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -81.41 55.98 2.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.111 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 53.91 2.55 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.205 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -125.75 -42.69 1.9 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 116.97 -37.61 3.29 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.193 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.5 m -127.04 170.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.346 -0.502 . . . . 0.0 111.612 -175.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 pt -130.19 160.06 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.904 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.482 HD21 HD21 ' B' ' 44' ' ' LEU . 4.7 mp -86.94 164.51 16.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -170.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 52.7 p -106.0 176.63 5.1 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.345 173.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.23 74.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.327 0.512 . . . . 0.0 111.763 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.36 -41.42 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.42 75.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.671 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.526 ' HA ' HD21 ' B' ' 44' ' ' LEU . 6.4 m-85 -70.16 -32.68 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.456 0.169 . . . . 0.0 110.936 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.08 -32.66 70.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.437 0.637 . . . . 0.0 110.683 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.549 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.4 mp -86.15 -14.39 44.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.712 -177.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -83.03 -40.15 20.3 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.022 178.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.4 -23.39 62.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.331 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.406 ' CE1' ' HG3' ' A' ' 9' ' ' GLU . 1.5 t80 -73.67 -44.77 55.86 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.426 0.631 . . . . 0.0 110.044 174.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.549 HG22 ' O ' ' B' ' 43' ' ' LEU . 18.2 pt -79.51 -27.68 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.489 -173.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.0 mm-40 -55.45 -58.27 8.46 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 121.492 0.663 . . . . 0.0 109.491 166.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.655 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 9.6 ttpt -79.36 -3.53 46.7 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.169 -165.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -117.33 -0.79 11.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 116.656 -2.017 . . . . 0.0 113.906 169.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.421 HD22 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -119.15 -32.88 4.3 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.295 0.569 . . . . 0.0 111.424 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.07 -30.28 2.71 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.981 -166.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.655 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 6.9 mtmm . . . . . 0 C--O 1.247 0.938 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.786 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.58 0.705 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -128.36 136.96 58.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.624 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.13 149.0 48.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.486 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -63.0 -18.85 63.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.286 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -83.23 -1.13 52.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -101.35 -20.61 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.227 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 7.9 mp -109.21 -11.62 14.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . 0.431 ' HG3' ' CE1' ' A' ' 46' ' ' PHE . 43.3 mt-10 -139.71 143.47 37.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.658 174.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.79 142.5 43.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.183 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.465 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -63.94 131.53 47.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.044 0.45 . . . . 0.0 109.959 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.931 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 42.3 t -64.93 153.24 89.04 Favored Pre-proline 0 N--CA 1.448 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.361 -168.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.931 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -36.38 -37.85 0.29 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.933 3.089 . . . . 0.0 114.765 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . 0.405 ' HD3' HG23 ' C' ' 21' ' ' ILE . 53.7 tttp -143.18 -29.73 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 25.5 p -116.61 44.8 1.94 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -166.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.13 26.8 2.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.111 0.482 . . . . 0.0 109.988 -175.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.8 ptp180 -148.3 -22.97 0.34 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -164.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . 0.416 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -126.61 -39.85 1.97 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.143 -170.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . 0.514 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 94.7 14.26 50.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.073 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -154.76 164.17 39.19 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.447 ' O ' HG21 ' C' ' 24' ' ' THR . 9.3 mt -133.47 119.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 57.19 42.05 26.07 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.111 0.882 . . . . 0.0 110.395 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.72 1.69 54.62 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.209 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.59 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.6 OUTLIER -120.74 160.67 43.52 Favored Pre-proline 0 C--N 1.318 -0.777 0 O-C-N 122.702 -0.293 . . . . 0.0 111.659 -174.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . 0.59 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 18.1 Cg_endo -57.03 137.58 82.57 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.896 2.397 . . . . 0.0 111.463 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.586 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 42.4 t -93.45 140.41 23.17 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.671 -170.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.562 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 61.0 Cg_exo -27.84 -52.01 0.12 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.394 4.729 . . . . 0.0 116.721 -177.55 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.83 -6.16 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -168.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 15.5 p -130.96 99.52 4.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -78.16 55.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . 0.514 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.42 48.48 3.99 Favored Glycine 0 CA--C 1.504 -0.634 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.189 175.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -119.83 -37.85 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.85 -39.29 2.91 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.9 m -126.8 169.25 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.447 -0.443 . . . . 0.0 111.871 -176.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -128.57 161.49 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.831 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.458 HD21 HD21 ' C' ' 44' ' ' LEU . 4.7 mp -87.7 164.89 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -170.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 45.2 p -105.87 177.93 4.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.355 173.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.36 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.447 0.567 . . . . 0.0 111.839 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.59 -39.81 92.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.44 76.73 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.643 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.535 ' HA ' HD21 ' C' ' 44' ' ' LEU . 6.2 m-85 -70.07 -31.16 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.417 0.287 . . . . 0.0 111.083 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 15.3 m -71.8 -32.49 67.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.23 0.538 . . . . 0.0 110.526 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.529 ' O ' HG22 ' C' ' 47' ' ' ILE . 5.4 mp -85.95 -14.86 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.087 -177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -81.77 -40.91 21.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.871 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.0 -23.64 63.17 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.363 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' B' ' 9' ' ' GLU . 1.5 t80 -73.66 -44.52 56.53 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.439 0.637 . . . . 0.0 109.942 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.529 HG22 ' O ' ' C' ' 43' ' ' LEU . 18.4 pt -79.62 -28.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.476 -173.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -54.87 -58.74 6.38 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.508 0.67 . . . . 0.0 109.524 166.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.67 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 9.1 ttpt -79.09 -3.35 44.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.412 -164.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -117.62 -0.62 11.81 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 116.892 -1.923 . . . . 0.0 113.834 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.409 HD22 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -118.78 -33.19 4.31 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.581 0.628 . . . . 0.0 111.412 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.76 -31.36 2.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.777 -166.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.67 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 7.6 mtmm . . . . . 0 C--O 1.244 0.801 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.728 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 122.166 0.984 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.92 129.91 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.794 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.44 149.25 43.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.91 -15.14 40.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.757 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.57 -7.92 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.7 -15.76 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 111.078 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.1 -16.54 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.044 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.473 ' OE2' ' HG ' ' A' ' 36' ' ' LEU . 4.1 mt-10 -140.29 139.59 35.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.38 148.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.55 134.94 55.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.94 170.16 2.83 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.129 0.972 . . . . 0.0 113.505 -171.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.656 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 64.1 Cg_exo -47.22 -41.34 27.62 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.179 2.586 . . . . 0.0 113.801 173.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -147.11 -27.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 25.2 p -115.32 42.68 2.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 -168.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.56 26.95 1.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.384 0.611 . . . . 0.0 109.479 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' H ' ' H ' ' A' ' 18' ' ' ALA . 19.6 ptp180 -146.98 -21.16 0.41 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -166.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -133.69 -33.03 1.09 Allowed 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.656 -172.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.503 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 86.48 22.49 47.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.201 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -147.52 159.42 43.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 0.0 111.279 -175.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' A' ' 24' ' ' THR . 36.1 mm -128.07 106.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 173.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 60.41 50.31 6.13 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.616 0.572 . . . . 0.0 111.226 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.94 2.32 8.01 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.767 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -119.82 146.19 41.24 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.569 -0.316 . . . . 0.0 110.793 -168.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.99 130.09 37.58 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.128 2.552 . . . . 0.0 112.597 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 41.9 t -82.97 132.81 49.8 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -30.42 -62.56 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 126.205 4.603 . . . . 0.0 116.632 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.16 -3.0 10.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -164.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 29.1 p -123.24 -2.15 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 118.574 -1.25 . . . . 0.0 112.683 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.3 m 40.18 31.71 0.1 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 96.26 26.75 10.73 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.347 -0.93 . . . . 0.0 114.424 176.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 29' ' ' CYS . 8.0 mtmp? -100.08 -35.82 9.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.329 1.064 . . . . 0.0 110.356 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.43 -39.8 2.76 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.41 162.42 10.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 122.764 -0.257 . . . . 0.0 111.26 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.506 HG23 ' SG ' ' A' ' 12' ' ' CYS . 8.5 pt -124.79 158.7 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.491 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 3.5 mp -87.72 164.29 16.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.49 0.662 . . . . 0.0 112.494 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -105.8 179.65 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.524 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.5 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.5 0.591 . . . . 0.0 111.212 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -59.88 -44.16 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.653 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.12 72.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.933 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.518 ' HA ' HD21 ' A' ' 44' ' ' LEU . 4.8 m-85 -70.11 -32.39 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -70.36 -31.78 69.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.599 0.714 . . . . 0.0 110.059 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' ILE . 6.2 mp -86.8 -17.1 34.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.259 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -84.42 -43.99 14.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.905 -176.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.69 -22.3 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.286 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.1 t80 -75.06 -41.31 59.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.351 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.472 HG21 HG23 ' B' ' 47' ' ' ILE . 20.9 pt -79.82 -29.36 12.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.66 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 76.6 mm-40 -54.12 -58.84 5.83 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.251 0.548 . . . . 0.0 109.954 168.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HA ' ' OXT' ' A' ' 53' ' ' LYS . 19.3 ttmt -76.77 -3.24 37.22 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.862 -164.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -116.95 -2.43 11.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.293 -1.363 . . . . 0.0 113.382 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -120.75 -34.69 3.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.955 -0.466 . . . . 0.0 111.463 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.41 -28.49 1.87 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.326 -166.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' OXT' ' HA ' ' A' ' 49' ' ' LYS . 24.7 mtmt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.015 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 122.129 0.966 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.05 129.8 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.664 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.91 42.71 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.11 0.481 . . . . 0.0 110.37 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -63.39 -14.22 47.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.75 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -81.06 -9.59 59.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.648 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -103.52 -13.9 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.916 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.03 -16.97 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 0.0 111.08 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.469 ' OE2' ' HG ' ' B' ' 36' ' ' LEU . 4.2 mt-10 -140.11 138.66 35.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.55 0.691 . . . . 0.0 109.316 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.23 147.94 32.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 134.35 53.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.131 0.491 . . . . 0.0 111.008 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.649 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.1 OUTLIER -61.69 171.19 1.48 Allowed Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.355 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 64.8 Cg_exo -47.25 -42.7 27.03 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.271 2.647 . . . . 0.0 113.692 172.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -146.31 -28.46 0.41 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -167.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 31.8 p -114.72 41.54 2.34 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -89.93 28.02 1.46 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.223 0.535 . . . . 0.0 109.682 -178.349 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -147.39 -21.82 0.38 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -166.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.69 -33.37 1.08 Allowed 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.68 -172.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.445 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 86.12 24.18 41.86 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.485 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 1.8 pt-20 -146.55 160.66 41.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.233 0.539 . . . . 0.0 111.309 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB ' ' B' ' 24' ' ' THR . 39.7 mm -128.05 106.65 15.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 58.51 54.41 5.52 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.718 0.636 . . . . 0.0 110.738 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 10.18 27.2 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.222 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -127.88 145.98 57.21 Favored Pre-proline 0 C--N 1.304 -1.397 0 CA-C-N 114.976 -0.612 . . . . 0.0 111.522 -167.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 130.6 39.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.276 2.65 . . . . 0.0 112.372 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 48.5 t -86.15 132.47 43.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.147 -169.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -29.76 -63.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 1 C-N-CA 126.149 4.566 . . . . 0.0 116.493 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.07 -0.66 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -165.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.2 p -122.61 -2.38 8.9 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.432 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m 37.52 32.99 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 95.37 26.91 11.33 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.385 -0.912 . . . . 0.0 114.399 175.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' B' ' 29' ' ' CYS . 8.0 mtmp? -100.6 -35.59 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.111 0.955 . . . . 0.0 110.4 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.18 -39.53 2.86 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.422 HG13 ' HA ' ' B' ' 11' ' ' ALA . 25.1 m -112.43 162.76 10.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 122.708 -0.289 . . . . 0.0 111.197 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.649 HG23 ' SG ' ' B' ' 12' ' ' CYS . 7.1 pt -124.41 158.87 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 3.4 mp -87.83 163.87 16.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.546 0.689 . . . . 0.0 112.351 -172.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.56 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.516 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.81 79.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.5 0.591 . . . . 0.0 111.433 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -59.91 -44.24 94.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 110.599 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.83 -31.08 72.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.976 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.527 ' HA ' HD21 ' B' ' 44' ' ' LEU . 4.5 m-85 -70.12 -32.57 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.154 0.181 . . . . 0.0 111.41 178.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -70.44 -31.71 69.0 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.502 0.668 . . . . 0.0 109.939 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.445 ' O ' HG22 ' B' ' 47' ' ' ILE . 6.2 mp -86.64 -16.72 35.76 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.213 -176.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -84.71 -44.01 13.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.074 -176.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.45 -22.47 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.259 0.552 . . . . 0.0 110.206 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.476 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -74.9 -41.33 59.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.33 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 47' ' ' ILE . 21.6 pt -79.96 -29.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.728 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.1 mm-40 -54.5 -58.76 6.22 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 121.032 0.444 . . . . 0.0 110.053 168.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.493 ' HA ' ' OXT' ' B' ' 53' ' ' LYS . 18.7 ttmt -76.89 -3.39 38.39 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.905 -165.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -117.05 -1.95 11.81 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 118.253 -1.379 . . . . 0.0 113.5 170.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.418 HD23 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.06 -36.65 3.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 111.577 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.406 ' HB2' HD13 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -128.45 -29.19 2.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.094 -166.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.493 ' OXT' ' HA ' ' B' ' 49' ' ' LYS . 25.2 mtmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.617 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.889 0.852 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.41 129.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.698 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.55 148.99 43.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.084 0.469 . . . . 0.0 110.49 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -61.65 -15.86 43.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.044 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.77 -8.92 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.84 -14.34 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.89 -17.28 12.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 111.035 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . 0.476 ' OE2' ' HG ' ' C' ' 36' ' ' LEU . 4.0 mt-10 -139.75 139.45 36.49 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.96 148.41 31.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.462 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -64.97 135.23 55.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.073 0.463 . . . . 0.0 110.951 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.61 ' SG ' HG23 ' C' ' 35' ' ' ILE . 0.1 OUTLIER -61.34 170.95 1.41 Allowed Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -171.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 65.1 Cg_exo -47.11 -41.61 26.73 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.289 2.659 . . . . 0.0 113.84 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -147.76 -29.64 0.33 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -166.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 15.0 p -115.17 41.65 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -165.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.493 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.41 27.68 1.64 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.305 0.574 . . . . 0.0 109.801 -178.137 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -146.44 -18.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -166.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.06 -34.75 0.79 Allowed 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.673 -171.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . 0.457 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 87.49 22.76 42.42 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.688 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -146.53 159.49 43.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.201 0.501 . . . . 0.0 111.501 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.614 ' O ' ' HB ' ' C' ' 24' ' ' THR . 37.1 mm -127.14 105.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.07 54.02 5.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.567 0.542 . . . . 0.0 110.838 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 9.77 26.24 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.1 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.614 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.9 m -126.98 144.25 49.68 Favored Pre-proline 0 C--N 1.303 -1.421 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.971 -166.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.23 130.38 39.41 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.261 2.641 . . . . 0.0 112.43 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 44.4 t -85.29 133.51 42.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -169.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -30.63 -63.59 0.1 Allowed 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 126.056 4.504 . . . . 0.0 116.494 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.7 -1.26 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -164.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.486 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 30.8 p -122.31 -2.33 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.569 -1.253 . . . . 0.0 112.555 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m 40.29 30.24 0.07 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.3 31.49 7.95 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.459 -0.876 . . . . 0.0 114.089 176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' C' ' 29' ' ' CYS . 7.8 mtmp? -103.67 -36.29 7.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 117.794 0.797 . . . . 0.0 110.357 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.63 -39.46 2.88 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -176.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -112.89 162.32 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 122.634 -0.333 . . . . 0.0 111.295 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.61 HG23 ' SG ' ' C' ' 12' ' ' CYS . 7.4 pt -124.71 158.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.481 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.476 ' HG ' ' OE2' ' C' ' 9' ' ' GLU . 3.5 mp -87.98 164.32 15.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.579 0.704 . . . . 0.0 112.574 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 80.7 p -105.82 178.48 4.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.561 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.98 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.529 0.604 . . . . 0.0 111.271 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -59.4 -45.6 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.616 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.76 -31.04 75.07 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.939 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.525 ' HA ' HD21 ' C' ' 44' ' ' LEU . 4.4 m-85 -70.55 -31.04 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -71.14 -32.15 68.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.584 0.707 . . . . 0.0 110.013 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.436 ' O ' HG22 ' C' ' 47' ' ' ILE . 6.2 mp -86.38 -17.46 34.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 -176.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -83.97 -43.85 14.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.148 -176.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -71.65 -22.38 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.277 0.561 . . . . 0.0 110.159 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.504 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.8 t80 -75.05 -41.3 59.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.283 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.452 HG23 HG21 ' B' ' 47' ' ' ILE . 21.0 pt -79.99 -28.75 12.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.712 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 77.4 mm-40 -54.87 -58.63 6.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 121.132 0.492 . . . . 0.0 110.069 168.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.446 ' HA ' ' OXT' ' C' ' 53' ' ' LYS . 18.6 ttmt -77.03 -3.31 38.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.964 -165.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -116.87 -2.54 11.79 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.232 -1.387 . . . . 0.0 113.296 170.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.412 HD21 ' O ' ' C' ' 47' ' ' ILE . 3.6 mm? -120.84 -36.13 3.22 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.184 0.516 . . . . 0.0 111.629 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.53 -28.17 2.31 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.227 -166.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.446 ' OXT' ' HA ' ' C' ' 49' ' ' LYS . 24.3 mtmt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.419 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.8 140.58 42.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.744 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.83 7.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.179 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -60.64 -23.05 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.78 -5.01 56.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -101.73 4.88 41.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 110.669 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.7 mt -131.69 -33.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -135.87 143.53 45.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.17 141.99 44.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.182 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.91 132.93 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.11 0.481 . . . . 0.0 111.425 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.4 t -66.21 162.87 43.77 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.404 1.082 . . . . 0.0 111.626 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.798 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 42.4 Cg_exo -41.41 -40.68 4.89 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.622 2.881 . . . . 0.0 116.066 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HD3' HG23 ' A' ' 21' ' ' ILE . 64.3 tttp -143.56 -36.73 0.36 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -156.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.7 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -115.74 34.11 5.12 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 120.268 1.394 . . . . 0.0 112.649 -161.085 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.798 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 13.4 mm-40 -98.62 42.6 1.09 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.19 1.472 . . . . 0.0 108.875 -164.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -147.1 -27.31 0.39 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.37 -2.65 . . . . 0.0 106.564 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.88 -35.95 3.77 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.42 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.85 19.84 55.14 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.55 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.7 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 5.3 pt-20 -158.76 156.21 29.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.561 ' O ' ' HB ' ' A' ' 24' ' ' THR . 51.7 mt -128.14 113.23 29.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 58.58 45.31 16.38 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.758 0.661 . . . . 0.0 111.563 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.89 8.6 35.46 Favored Glycine 0 CA--C 1.503 -0.673 0 C-N-CA 119.85 -1.166 . . . . 0.0 111.991 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -120.25 146.91 43.73 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.107 -0.546 . . . . 0.0 111.616 -173.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.58 137.8 73.94 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.307 2.671 . . . . 0.0 111.838 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.1 t -89.05 131.4 41.18 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.368 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -38.5 -52.73 1.94 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 125.234 3.956 . . . . 0.0 115.373 -172.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.45 -15.71 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.847 -167.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 24.3 p -135.87 111.74 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.645 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -82.53 49.72 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.35 60.21 1.12 Allowed Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.075 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -123.66 -50.87 1.84 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.38 0.609 . . . . 0.0 109.433 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.6 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . 120.97 -36.15 3.43 Favored Glycine 0 N--CA 1.434 -1.497 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -167.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.12 165.68 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.279 -1.13 . . . . 0.0 113.323 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 pt -124.02 169.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.687 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD22 ' CZ ' ' B' ' 46' ' ' PHE . 2.6 mp -87.4 153.59 21.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -107.18 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.28 64.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -52.08 -48.76 64.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.225 0.536 . . . . 0.0 110.518 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.23 -29.02 73.09 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.798 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -69.11 -35.81 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.569 -0.371 . . . . 0.0 111.661 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -69.98 -30.44 67.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.616 0.722 . . . . 0.0 110.144 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.9 mp -86.5 -17.72 33.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.622 -175.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -80.54 -42.98 21.44 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.957 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.5 -22.88 62.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.708 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' C' ' 36' ' ' LEU . 71.0 t80 -76.2 -41.06 50.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.395 174.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 HG21 ' B' ' 47' ' ' ILE . 20.2 pt -79.98 -28.23 12.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.393 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.2 mm-40 -55.45 -57.03 13.59 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.675 0.75 . . . . 0.0 109.232 165.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.8 ttmt -78.32 -7.12 56.88 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.245 -1.343 . . . . 0.0 112.962 -163.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.53 -0.9 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 117.778 -1.569 . . . . 0.0 114.142 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.4 mm? -117.96 -42.27 2.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.478 0.656 . . . . 0.0 110.874 171.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -116.63 -31.91 5.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.199 -165.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.1 mtmt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.377 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.689 0.756 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -139.37 140.69 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.765 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.16 171.4 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.256 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.19 -23.43 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.458 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.03 -4.36 54.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -101.4 2.05 39.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.486 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.5 mt -128.67 -34.1 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.924 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -135.58 142.43 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.429 0.633 . . . . 0.0 110.884 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.26 141.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 131.83 47.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.232 0.539 . . . . 0.0 111.189 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.849 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 1.7 t -65.49 163.56 32.49 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.754 1.221 . . . . 0.0 112.093 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.849 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -41.47 -42.31 5.62 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.518 2.812 . . . . 0.0 116.221 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -144.8 -34.42 0.36 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -156.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.713 ' HB2' ' O ' ' B' ' 20' ' ' GLU . 0.8 OUTLIER -114.79 33.01 5.62 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 120.466 1.484 . . . . 0.0 113.017 -161.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.807 ' CD ' ' HB3' ' B' ' 12' ' ' CYS . 13.3 mm-40 -100.54 42.65 1.1 Allowed 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 123.461 1.601 . . . . 0.0 109.258 -163.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' B' ' 18' ' ' ALA . 2.9 ptm180 -147.21 -24.37 0.39 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.42 -2.627 . . . . 0.0 106.782 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -120.45 -36.43 3.21 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.532 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.14 57.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.989 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.713 ' O ' ' HB2' ' B' ' 15' ' ' CYS . 6.4 pt-20 -155.17 157.05 36.8 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.271 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.573 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 41.4 mt -129.84 113.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 57.41 46.42 18.23 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.056 0.848 . . . . 0.0 111.369 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.427 ' HA2' ' OE1' ' B' ' 20' ' ' GLU . . . 63.92 12.12 47.15 Favored Glycine 0 CA--C 1.507 -0.435 0 C-N-CA 119.864 -1.16 . . . . 0.0 112.006 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -124.77 144.72 47.49 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 114.706 -0.747 . . . . 0.0 111.425 -171.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.49 134.01 55.82 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.379 2.72 . . . . 0.0 112.059 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 42.8 t -84.39 131.08 51.47 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.484 -171.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -38.02 -54.11 1.44 Allowed 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 124.943 3.762 . . . . 0.0 115.424 -174.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 -15.41 14.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.35 -168.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 15.7 p -137.47 114.23 10.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -82.11 48.31 1.23 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.61 61.39 1.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.424 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.416 ' HD3' ' HG2' ' C' ' 49' ' ' LYS . 51.6 mttm -123.83 -50.52 1.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.502 0.668 . . . . 0.0 109.226 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' B' ' 16' ' ' GLU . . . 120.77 -36.39 3.37 Favored Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -167.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -130.09 165.63 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 121.234 -1.156 . . . . 0.0 113.421 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 pt -123.93 169.66 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.756 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.443 HD23 HD23 ' B' ' 44' ' ' LEU . 2.6 mp -87.77 153.0 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -172.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -107.02 176.81 5.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.89 -48.02 67.48 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -51.99 -49.13 63.89 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.261 0.553 . . . . 0.0 110.643 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.29 -28.99 73.04 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.914 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -69.14 -35.4 76.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.517 -0.402 . . . . 0.0 111.702 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.631 0.729 . . . . 0.0 110.203 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.441 ' O ' HG23 ' B' ' 47' ' ' ILE . 4.7 mp -86.15 -17.84 33.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.587 -175.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.629 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -80.44 -43.04 21.61 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.098 -179.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.51 -22.76 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 110.607 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.435 ' CZ ' HD22 ' A' ' 36' ' ' LEU . 72.0 t80 -76.12 -41.35 50.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.474 HG12 ' HA ' ' B' ' 44' ' ' LEU . 19.8 pt -79.83 -28.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.416 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.8 mm-40 -55.93 -56.18 23.79 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 166.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.521 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.5 ttmt -78.52 -7.61 57.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.864 -163.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.36 -1.08 11.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 117.69 -1.604 . . . . 0.0 114.297 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.4 mm? -117.26 -43.42 2.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.541 0.686 . . . . 0.0 110.549 170.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.3 -33.74 5.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.114 -165.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.521 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--O 1.244 0.767 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.693 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 121.782 0.801 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -136.08 140.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.822 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 172.65 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.383 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -61.24 -23.92 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.202 0.525 . . . . 0.0 110.881 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.18 -3.68 52.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.013 -174.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.48 2.98 39.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.981 0.42 . . . . 0.0 110.419 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.85 -34.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.83 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -135.57 143.79 45.84 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.735 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.76 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.075 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 133.92 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.177 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.847 ' HB3' ' CD ' ' C' ' 16' ' ' GLU . 2.6 t -65.13 163.12 33.32 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.434 1.094 . . . . 0.0 111.684 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 31.8 Cg_exo -41.45 -42.28 5.57 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.518 2.812 . . . . 0.0 116.029 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -143.21 -35.9 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 -156.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' C' ' 20' ' ' GLU . 1.1 p -115.21 34.06 5.09 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 120.606 1.548 . . . . 0.0 112.912 -160.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.847 ' CD ' ' HB3' ' C' ' 12' ' ' CYS . 12.5 mm-40 -99.91 43.52 1.06 Allowed 'General case' 0 C--N 1.28 -2.445 0 CA-C-O 123.255 1.502 . . . . 0.0 109.042 -163.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -147.24 -26.16 0.39 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 111.563 -2.562 . . . . 0.0 106.689 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.34 -35.91 3.48 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.608 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.85 17.43 56.44 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.076 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.706 ' O ' ' HB2' ' C' ' 15' ' ' CYS . 4.4 pt-20 -155.76 157.48 36.6 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.112 0.482 . . . . 0.0 110.419 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.604 ' O ' ' HB ' ' C' ' 24' ' ' THR . 38.3 mt -129.53 112.82 25.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 57.79 47.76 14.9 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.077 0.86 . . . . 0.0 111.257 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 11.05 41.43 Favored Glycine 0 CA--C 1.508 -0.4 0 C-N-CA 120.311 -0.947 . . . . 0.0 111.903 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.3 m -123.97 144.14 44.25 Favored Pre-proline 0 C--N 1.308 -1.218 0 CA-C-N 114.736 -0.732 . . . . 0.0 111.294 -170.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -53.89 135.55 63.51 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.084 2.523 . . . . 0.0 111.958 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 43.3 t -87.32 130.09 48.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.77 -170.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -36.89 -52.66 1.27 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 125.219 3.946 . . . . 0.0 115.657 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.15 -18.91 13.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.214 -168.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' C' ' 26' ' ' CYS . 31.5 p -131.59 107.56 8.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -80.59 54.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.091 0.472 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 57.59 1.63 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.518 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -122.13 -49.39 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.466 0.65 . . . . 0.0 109.755 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' C' ' 16' ' ' GLU . . . 120.03 -36.41 3.45 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.99 166.07 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.305 -1.115 . . . . 0.0 113.118 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 29.6 pt -123.98 170.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.654 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.437 HD23 HD23 ' C' ' 44' ' ' LEU . 2.6 mp -87.79 153.66 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.516 0.674 . . . . 0.0 112.798 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -107.38 176.37 5.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.188 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.02 63.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -51.51 -48.94 62.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.202 0.525 . . . . 0.0 110.417 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.29 -29.48 73.2 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.84 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.545 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.9 m-85 -69.05 -35.24 76.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.56 -0.376 . . . . 0.0 111.59 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.4 m -70.41 -31.01 68.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.627 0.727 . . . . 0.0 110.217 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.428 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.7 mp -86.28 -17.46 34.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.544 -175.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -80.52 -43.09 21.32 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.997 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.6 -22.7 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.632 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.434 ' CZ ' HD22 ' B' ' 36' ' ' LEU . 71.7 t80 -76.06 -41.37 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.514 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.47 HG22 HG21 ' A' ' 47' ' ' ILE . 20.4 pt -79.75 -28.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.442 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.4 mm-40 -55.82 -56.26 22.69 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.688 0.756 . . . . 0.0 109.296 166.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.522 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 31.7 ttmt -78.2 -8.58 58.5 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.852 -163.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.86 -1.26 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.718 -1.593 . . . . 0.0 114.18 173.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.4 mm? -117.08 -42.39 2.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.771 170.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -116.09 -32.82 5.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.141 -165.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.522 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.5 mtmt . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.887 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.198 0.523 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.12 135.98 54.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 148.41 46.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.861 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -12.9 58.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.452 -175.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.28 -3.54 52.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -103.81 -16.31 15.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.67 -22.57 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.402 . . . . 0.0 111.205 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -126.05 127.05 45.24 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.407 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.57 141.6 44.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.853 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 16' ' ' GLU . . . -63.02 130.04 42.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.0 110.677 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.889 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 43.6 t -63.61 158.84 56.76 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -169.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.889 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 33.4 Cg_exo -37.98 -39.43 0.89 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.427 2.751 . . . . 0.0 115.171 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -145.88 -26.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 15.2 p -118.66 47.26 1.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -172.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.58 23.75 2.91 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 122.185 -0.322 . . . . 0.0 111.465 -175.106 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' H ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -147.93 -15.63 0.36 Allowed 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -115.63 -39.85 3.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.094 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.29 15.67 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.486 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.2 pt-20 -155.54 161.77 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.649 -0.324 . . . . 0.0 110.357 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.33 121.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 55.36 42.03 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.76 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.04 10.81 7.45 Favored Glycine 0 CA--C 1.51 -0.257 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.857 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.77 145.41 39.33 Favored Pre-proline 0 N--CA 1.437 -1.111 0 C-N-CA 122.836 0.454 . . . . 0.0 110.444 -172.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.98 126.08 21.07 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.09 2.527 . . . . 0.0 112.291 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 53.0 t -78.28 136.42 60.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.064 -171.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -27.47 -57.34 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.987 1 C-N-CA 126.524 4.816 . . . . 0.0 116.631 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.05 -7.1 7.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.13 0.49 . . . . 0.0 111.823 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 29.2 p -131.53 93.41 3.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 p -75.93 53.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.2 0.524 . . . . 0.0 112.076 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 97.07 47.89 2.16 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.341 173.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -116.0 -47.63 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.773 0.796 . . . . 0.0 108.919 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 119.22 -39.2 2.59 Favored Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.74 161.11 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.819 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 pt -124.93 169.62 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.937 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD22 HD21 ' A' ' 44' ' ' LEU . 2.9 mp -88.46 161.74 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -174.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.3 p -105.74 -177.09 3.26 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.288 172.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.7 89.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.739 0.7 . . . . 0.0 111.269 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.18 -39.11 85.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.423 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.78 73.67 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.823 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' A' ' 44' ' ' LEU . 4.7 m-85 -69.96 -34.1 72.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.4 m -69.84 -31.87 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.465 0.65 . . . . 0.0 110.377 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.1 mp -85.48 -21.48 28.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.834 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.673 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -78.32 -44.96 23.84 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.681 -176.607 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.48 -21.26 61.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.486 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.472 ' CZ ' HD21 ' C' ' 36' ' ' LEU . 63.7 t80 -75.75 -43.34 47.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.24 173.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 43' ' ' LEU . 18.6 pt -79.47 -26.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.312 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.3 mm-40 -57.87 -59.06 5.82 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 165.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -77.54 -3.97 43.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.364 -165.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -116.8 -1.85 11.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 118.147 -1.421 . . . . 0.0 113.767 169.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.5 mm? -120.67 -55.46 2.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.376 0.608 . . . . 0.0 111.027 172.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -106.39 -22.97 12.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.866 -168.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 19.3 mtmt . . . . . 0 C--O 1.245 0.85 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.296 0.57 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.72 135.74 56.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.696 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.32 45.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -14.49 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.406 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.51 -2.71 50.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.325 -176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -104.16 -17.55 14.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.31 -22.36 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 111.285 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -125.95 127.75 46.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.436 176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.07 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.942 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' B' ' 16' ' ' GLU . . . -63.43 129.71 41.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.934 0.397 . . . . 0.0 110.558 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.94 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 44.2 t -64.58 158.06 69.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.808 0.843 . . . . 0.0 113.198 -168.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.94 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 33.9 Cg_exo -37.33 -37.17 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.515 2.81 . . . . 0.0 115.696 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -148.66 -24.99 0.32 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -166.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 15.7 p -118.59 44.46 2.27 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -171.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.14 22.95 3.03 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 122.34 -0.225 . . . . 0.0 111.247 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.52 -15.7 0.38 Allowed 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -176.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.94 -37.85 4.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.286 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.464 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 87.36 15.92 61.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.308 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -156.58 160.96 39.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 13.7 mt -141.69 123.15 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 53.7 42.06 31.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.714 0.634 . . . . 0.0 110.878 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.99 13.58 8.83 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.727 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.9 144.81 41.94 Favored Pre-proline 0 N--CA 1.433 -1.294 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.723 -173.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.78 124.22 15.72 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.099 2.532 . . . . 0.0 112.033 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 44.1 t -77.15 136.59 65.49 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.818 -169.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 62.3 Cg_exo -28.21 -56.25 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.046 1 C-N-CA 126.412 4.741 . . . . 0.0 116.582 -177.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.13 -6.92 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -168.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 20.1 p -130.31 93.61 3.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -76.17 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.289 0.566 . . . . 0.0 111.953 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 96.66 50.85 1.76 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.975 174.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -119.02 -47.23 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 119.04 -38.82 2.72 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.4 161.75 12.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.168 0.509 . . . . 0.0 111.869 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.41 169.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.012 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.473 HD21 ' CZ ' ' C' ' 46' ' ' PHE . 2.8 mp -88.29 160.96 17.42 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -105.45 -176.44 3.08 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.245 173.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.66 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.766 0.712 . . . . 0.0 111.161 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.19 -40.07 88.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 110.448 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.41 -32.64 75.79 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.787 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.536 ' HA ' HD21 ' B' ' 44' ' ' LEU . 4.3 m-85 -70.22 -33.06 71.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -70.3 -32.39 70.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.526 0.679 . . . . 0.0 110.421 176.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.444 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.1 mp -85.37 -21.15 28.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.92 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -78.52 -44.47 24.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.714 -176.602 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.47 -21.77 61.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.479 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 63.7 t80 -75.57 -42.92 50.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.214 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' B' ' 44' ' ' LEU . 18.8 pt -79.53 -26.59 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.317 -176.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 85.2 mm-40 -57.54 -59.22 5.49 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 165.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 2.4 ttmp? -77.59 -4.0 43.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.349 -164.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.65 -1.49 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.124 -1.431 . . . . 0.0 113.789 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.427 HD22 ' O ' ' B' ' 47' ' ' ILE . 3.5 mm? -120.63 -56.56 1.95 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.45 0.643 . . . . 0.0 110.857 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.43 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -105.98 -21.99 13.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.748 -167.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.096 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 121.519 0.676 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -119.94 135.26 60.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.32 44.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.721 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -12.87 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.501 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.46 -6.39 58.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.166 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -103.38 -14.73 16.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.2 -22.25 9.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.088 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -126.23 128.25 46.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.29 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -126.51 141.89 44.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.93 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.464 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -63.31 129.52 40.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.486 -178.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.93 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 53.3 t -63.23 158.77 53.97 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.689 -169.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.93 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 34.0 Cg_exo -37.52 -39.07 0.64 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.515 2.81 . . . . 0.0 115.005 177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -146.28 -26.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -165.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.48 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 27.8 p -117.75 43.97 2.27 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -169.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.31 22.45 3.34 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -172.515 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.02 -10.29 0.44 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.4 -41.42 2.61 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.894 -173.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.16 16.38 55.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.779 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.58 161.82 40.77 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.676 -0.308 . . . . 0.0 110.304 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 13.0 mt -142.29 122.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 55.47 41.1 31.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.774 -174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.77 11.11 9.67 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.689 -176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 144.45 37.19 Favored Pre-proline 0 N--CA 1.435 -1.219 0 CA-C-N 115.228 -0.486 . . . . 0.0 110.305 -172.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.58 128.17 29.23 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.066 2.511 . . . . 0.0 112.059 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.423 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 35.4 t -79.83 135.24 55.88 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.639 -169.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.421 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 62.7 Cg_exo -28.49 -55.19 0.14 Allowed 'Trans proline' 0 C--N 1.357 0.985 1 C-N-CA 126.326 4.684 . . . . 0.0 117.029 -176.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.8 -8.52 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.084 0.468 . . . . 0.0 111.636 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 29.3 p -130.14 91.24 3.08 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.5 p -74.3 53.12 0.5 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 96.9 49.21 1.96 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.012 174.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -117.88 -46.28 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.84 -39.27 2.66 Favored Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -172.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.91 161.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.059 0.457 . . . . 0.0 111.934 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 21.5 pt -124.93 169.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.943 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.472 HD21 ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mp -88.38 161.22 17.21 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -105.6 -178.6 3.7 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.33 172.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.57 82.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.676 0.671 . . . . 0.0 111.487 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.97 -40.07 87.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.826 0.346 . . . . 0.0 110.436 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.51 75.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.835 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' C' ' 44' ' ' LEU . 4.7 m-85 -69.91 -34.49 73.57 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.291 0.236 . . . . 0.0 111.486 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -69.69 -32.0 70.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.501 0.667 . . . . 0.0 110.382 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.45 ' O ' HG12 ' C' ' 47' ' ' ILE . 6.3 mp -85.38 -21.43 28.85 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.911 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.65 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -78.34 -44.71 24.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.745 -176.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.61 -21.28 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.497 . . . . 0.0 110.535 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.473 ' CZ ' HD21 ' B' ' 36' ' ' LEU . 63.5 t80 -75.83 -43.41 46.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.257 173.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.452 HG12 ' HA ' ' C' ' 44' ' ' LEU . 18.4 pt -79.3 -26.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.279 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -57.64 -59.22 5.53 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 165.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.4 ttmp? -77.61 -3.69 42.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.303 -165.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -116.76 -1.21 12.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 118.278 -1.369 . . . . 0.0 113.752 169.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.43 HD12 ' OD1' ' B' ' 52' ' ' ASN . 3.4 mm? -122.0 -55.88 1.86 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.365 0.603 . . . . 0.0 110.901 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . 0.431 HD21 ' HA ' ' C' ' 52' ' ' ASN . 0.2 OUTLIER -106.26 -21.32 13.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.982 -167.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.448 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.291 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.692 0.758 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.441 HG21 ' HG3' ' B' ' 39' ' ' GLN . 14.3 tt -126.64 137.09 58.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.679 -177.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.66 145.25 49.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -62.27 -15.9 50.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.694 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.35 -2.04 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.496 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.3 -15.69 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.04 -13.56 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -132.26 133.74 44.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.156 173.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.51 140.27 49.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' HG11 ' A' ' 34' ' ' VAL . . . -64.35 136.12 56.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.883 0.373 . . . . 0.0 110.504 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.578 ' SG ' HG22 ' A' ' 35' ' ' ILE . 1.1 m -60.14 171.33 0.95 Allowed Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -45.56 -42.69 18.49 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.405 2.736 . . . . 0.0 113.522 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.84 -1.22 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -173.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 25.5 p -115.52 39.3 3.01 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 117.673 -1.611 . . . . 0.0 114.023 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -91.36 35.98 0.93 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.83 -16.75 0.41 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.07 -26.27 2.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.396 -170.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 78.05 33.8 39.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 114.222 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.91 160.15 43.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.31 0.555 . . . . 0.0 111.492 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' O ' ' HB ' ' A' ' 24' ' ' THR . 33.3 mm -123.37 99.93 7.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 63.69 51.85 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.756 0.66 . . . . 0.0 111.288 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.54 6.51 6.29 Favored Glycine 0 CA--C 1.51 -0.232 0 C-N-CA 120.283 -0.96 . . . . 0.0 112.757 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -119.42 146.13 40.35 Favored Pre-proline 0 N--CA 1.438 -1.065 0 CA-C-N 115.602 -0.299 . . . . 0.0 110.358 -171.351 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.24 129.7 35.91 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.427 2.752 . . . . 0.0 112.468 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 47.7 t -83.05 136.59 43.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.148 -172.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 54.1 Cg_exo -32.17 -57.57 0.26 Allowed 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 125.586 4.191 . . . . 0.0 115.861 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.49 -8.88 9.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 111.981 -167.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 14.5 p -129.07 95.22 4.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -75.3 51.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.404 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 96.53 50.5 1.83 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.828 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -118.28 -47.04 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 118.53 -38.05 3.02 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -172.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -117.75 164.58 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 111.439 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.578 HG22 ' SG ' ' A' ' 12' ' ' CYS . 11.4 pt -125.12 166.65 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.005 173.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD21 HD21 ' A' ' 44' ' ' LEU . 4.5 mp -88.51 163.87 15.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.51 0.672 . . . . 0.0 112.506 -174.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 82.7 p -105.44 177.15 4.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.371 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.8 81.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.596 0.634 . . . . 0.0 111.546 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' C' ' 3' ' ' ILE . 53.6 tt0 -61.02 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.891 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.99 75.17 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.882 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.542 ' HA ' HD21 ' A' ' 44' ' ' LEU . 4.2 m-85 -70.2 -33.66 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.541 0.21 . . . . 0.0 111.227 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.1 m -68.94 -31.94 71.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.532 0.682 . . . . 0.0 110.054 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' HG22 ' A' ' 47' ' ' ILE . 5.4 mp -87.4 -11.09 50.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -87.64 -43.34 12.03 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.154 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.38 -23.71 61.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.148 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -74.02 -41.78 61.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.147 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.483 HG21 HG23 ' B' ' 47' ' ' ILE . 18.8 pt -79.55 -27.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.984 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.4 mm-40 -55.03 -58.66 6.74 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.476 0.655 . . . . 0.0 109.866 168.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 32.4 ttmt -78.51 -2.24 37.71 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.858 -1.065 . . . . 0.0 113.107 -164.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -117.57 -2.71 11.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 117.797 -1.561 . . . . 0.0 113.904 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.6 mm? -118.49 -38.99 3.06 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 173.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.35 -30.18 4.01 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.045 -166.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.588 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 26.2 mtmt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.316 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.693 0.758 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.404 HG21 ' HG3' ' C' ' 39' ' ' GLN . 14.6 tt -127.74 137.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.754 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.69 146.19 48.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -62.18 -16.7 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.185 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.88 -1.27 51.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.53 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.28 -17.09 14.97 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.67 -13.62 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.39 133.58 44.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.7 141.06 47.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.086 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.451 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 135.14 55.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.286 0.565 . . . . 0.0 110.536 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.493 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -60.55 172.28 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -171.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 56.3 Cg_exo -46.69 -42.81 23.9 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.989 2.459 . . . . 0.0 113.182 172.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.46 0.71 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 21.0 p -116.4 41.8 2.56 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.713 1.597 . . . . 0.0 113.795 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.5 OUTLIER -90.71 36.74 0.9 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.747 -176.483 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.62 -19.16 0.37 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.12 -24.41 3.43 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.463 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 76.55 34.72 43.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.687 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 8.1 pt-20 -153.23 159.96 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.505 0.669 . . . . 0.0 111.427 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.429 ' O ' ' HB ' ' B' ' 24' ' ' THR . 35.3 mm -123.06 99.73 7.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 64.13 51.02 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.766 0.666 . . . . 0.0 111.321 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.72 7.16 7.48 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.82 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -119.84 146.79 42.67 Favored Pre-proline 0 N--CA 1.438 -1.033 0 C-N-CA 122.426 0.29 . . . . 0.0 110.386 -172.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.55 129.23 33.77 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.319 2.679 . . . . 0.0 112.727 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.0 t -82.54 136.51 45.47 Favored Pre-proline 0 N--CA 1.446 -0.667 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.0 Cg_exo -32.14 -57.18 0.27 Allowed 'Trans proline' 0 C--N 1.356 0.974 1 C-N-CA 125.789 4.326 . . . . 0.0 116.137 -178.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.55 -8.29 9.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.166 0.508 . . . . 0.0 111.763 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.5 p -130.12 95.94 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -75.75 51.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.463 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 97.85 50.28 1.66 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.251 174.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -118.43 -46.15 2.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.627 0.727 . . . . 0.0 109.21 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.59 -38.46 2.95 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -171.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.25 164.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.986 0.422 . . . . 0.0 111.743 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 12.4 pt -125.21 166.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.985 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.47 HD21 HD21 ' B' ' 44' ' ' LEU . 4.6 mp -88.17 164.23 15.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.506 0.67 . . . . 0.0 112.48 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.422 ' O ' ' HD1' ' B' ' 41' ' ' TYR . 81.1 p -105.83 177.23 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.459 173.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.06 80.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.48 0.582 . . . . 0.0 111.408 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . 0.441 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 tt0 -60.76 -44.14 97.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.986 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.7 75.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.891 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.534 ' HA ' HD21 ' B' ' 44' ' ' LEU . 4.4 m-85 -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.57 0.224 . . . . 0.0 111.19 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -68.78 -32.31 71.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.403 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.1 mp -87.02 -12.44 47.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.55 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.577 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -86.37 -43.52 12.79 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.237 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.31 -23.11 61.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.285 0.564 . . . . 0.0 110.105 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -74.16 -42.05 60.56 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.286 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.483 HG23 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.51 -28.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.844 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.6 mm-40 -55.06 -56.74 16.4 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.448 0.642 . . . . 0.0 109.731 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.483 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 33.4 ttmt -77.54 -5.87 51.63 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.632 -1.167 . . . . 0.0 113.004 -164.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -116.44 -2.45 12.04 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.659 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.5 mm? -119.12 -37.68 3.17 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.62 -33.16 3.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.012 -166.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.9 mtmt . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 121.62 0.724 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.403 HG21 ' HG3' ' A' ' 39' ' ' GLN . 14.4 tt -126.43 137.13 58.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.46 145.68 48.64 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 -16.36 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.9 -0.71 49.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.698 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.06 -16.95 15.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.73 -13.81 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.107 0.48 . . . . 0.0 110.479 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -132.57 132.97 43.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.193 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.2 141.23 46.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.472 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.29 134.95 55.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.856 0.36 . . . . 0.0 110.617 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.54 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.0 OUTLIER -58.13 171.84 0.53 Allowed Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 124.413 1.085 . . . . 0.0 113.508 -172.018 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.54 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 55.5 Cg_exo -46.96 -42.47 25.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.169 2.579 . . . . 0.0 113.576 171.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.4 -0.9 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -172.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.59 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 7.3 p -116.61 43.47 2.22 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.307 -1.496 . . . . 0.0 113.296 176.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -91.34 36.09 0.93 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.623 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -18.41 0.4 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.56 -25.31 3.17 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -171.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.79 32.1 42.01 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.994 -1.098 . . . . 0.0 114.066 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.7 pt-20 -152.28 160.0 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 111.413 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.497 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.0 mm -123.0 99.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 175.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 62.94 51.54 2.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.644 0.59 . . . . 0.0 111.421 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.18 9.17 10.42 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.507 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.13 145.97 43.19 Favored Pre-proline 0 N--CA 1.437 -1.088 0 CA-C-N 115.551 -0.325 . . . . 0.0 110.452 -173.125 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.46 126.62 22.9 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.289 2.659 . . . . 0.0 113.123 -176.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 50.0 t -78.32 135.24 61.72 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.497 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -31.62 -57.34 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 125.945 4.43 . . . . 0.0 116.015 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 -7.84 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -167.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.7 p -130.28 96.65 4.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.9 p -74.62 50.29 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.2 48.47 1.87 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.244 174.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -116.9 -45.17 2.78 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 109.25 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.53 -39.05 2.75 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 -172.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -116.14 164.71 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -125.5 166.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.779 173.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.471 HD21 HD21 ' C' ' 44' ' ' LEU . 4.5 mp -88.36 163.88 15.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.376 0.608 . . . . 0.0 112.398 -174.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' THR . . . . . 0.419 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 71.0 p -105.68 175.95 5.33 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.2 -46.35 72.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.378 0.535 . . . . 0.0 111.72 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . 0.404 ' HG3' HG21 ' B' ' 3' ' ' ILE . 53.6 tt0 -60.8 -43.53 98.02 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.981 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.4 -30.02 75.86 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.85 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.543 ' HA ' HD21 ' C' ' 44' ' ' LEU . 4.7 m-85 -70.4 -33.84 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.274 0.23 . . . . 0.0 111.143 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -68.52 -32.25 72.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.56 0.695 . . . . 0.0 110.008 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.416 ' O ' HG22 ' C' ' 47' ' ' ILE . 5.2 mp -87.21 -12.21 47.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.575 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -86.52 -43.43 12.74 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.073 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.25 -23.55 62.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.285 0.564 . . . . 0.0 110.195 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -74.18 -42.03 60.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.284 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.479 HG21 HG23 ' A' ' 47' ' ' ILE . 19.1 pt -79.53 -27.64 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.866 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.7 mm-40 -55.22 -56.62 17.92 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.425 0.631 . . . . 0.0 109.571 168.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.506 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 32.8 ttmt -77.57 -6.36 53.42 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.915 -163.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -116.52 -2.56 11.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 117.968 -1.493 . . . . 0.0 113.818 172.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.5 mm? -118.52 -36.02 3.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.537 0.684 . . . . 0.0 111.111 173.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.74 -32.33 2.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.051 -165.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.506 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 21.7 mtmt . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.672 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.21 131.59 71.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.118 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 148.62 44.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -64.03 -15.13 58.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.21 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.28 -4.35 57.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.434 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.5 -15.68 15.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.951 0.405 . . . . 0.0 110.621 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.95 -17.64 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.151 0.5 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.73 131.65 37.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.836 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.56 141.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.92 131.35 47.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.193 0.52 . . . . 0.0 110.668 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.789 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.6 164.57 6.95 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.903 -169.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.789 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 66.6 Cg_exo -48.21 -33.18 21.05 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.208 2.605 . . . . 0.0 114.306 175.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -149.04 -28.96 0.27 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -115.7 44.74 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -169.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 27.76 1.82 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -148.98 -20.7 0.3 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -164.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.58 -34.31 0.77 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.674 -172.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.47 19.13 46.33 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.217 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.6 pt-20 -158.4 166.63 31.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 110.732 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 24' ' ' THR . 32.0 mm -124.2 110.27 25.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.24 49.94 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.83 1.54 18.51 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.189 -0.529 . . . . 0.0 114.1 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -121.69 158.29 54.62 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 117.236 0.518 . . . . 0.0 110.942 -174.379 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.595 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.9 Cg_endo -57.46 139.49 90.32 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.283 2.655 . . . . 0.0 112.934 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' HG12 ' A' ' 21' ' ' ILE . 49.8 t -93.2 137.35 23.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.612 -174.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -29.55 -51.96 0.18 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.234 4.623 . . . . 0.0 116.768 -177.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 -6.33 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -168.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p -130.75 100.92 5.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -77.04 50.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.94 44.74 3.52 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.92 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -108.68 -44.06 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.795 0.807 . . . . 0.0 108.829 176.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.0 2.9 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.5 m -115.28 163.69 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 111.73 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 pt -124.77 165.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD21 HD21 ' A' ' 44' ' ' LEU . 4.7 mp -87.72 162.79 16.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.509 0.671 . . . . 0.0 112.599 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.0 p -105.12 -178.92 3.79 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.356 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.0 97.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.893 0.77 . . . . 0.0 111.586 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.13 -39.23 85.53 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.512 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.59 71.1 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.876 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' HA ' HD21 ' A' ' 44' ' ' LEU . 14.2 m-30 -69.33 -34.53 74.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.393 0.14 . . . . 0.0 110.807 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.6 m -69.12 -34.75 75.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.214 0.53 . . . . 0.0 110.579 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.418 ' O ' HG22 ' A' ' 47' ' ' ILE . 6.0 mp -86.89 -16.17 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.5 HD21 ' HA ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -83.31 -42.98 16.5 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.169 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.32 -22.6 61.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 110.535 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.79 -43.12 56.43 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.095 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.472 HG21 HG23 ' B' ' 47' ' ' ILE . 20.7 pt -79.61 -29.36 13.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.701 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 75.8 mm-40 -54.0 -58.94 5.45 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 121.24 0.543 . . . . 0.0 109.717 167.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 2.9 ttmp? -76.63 -3.3 37.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.886 -164.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -117.77 -1.57 11.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.471 -1.292 . . . . 0.0 113.545 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.411 HD22 ' O ' ' A' ' 47' ' ' ILE . 3.2 mm? -122.38 -43.77 2.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' HB2' HD13 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -122.83 -21.4 5.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -168.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 18.8 mtmt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.189 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.451 0.643 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.62 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.178 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.93 147.11 46.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.988 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -62.81 -16.73 59.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.042 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.58 -2.06 52.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -103.55 -19.22 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.399 . . . . 0.0 110.634 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.07 -17.29 13.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.705 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.87 132.29 40.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.479 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.82 140.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.454 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -63.64 131.95 49.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 110.55 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.784 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.69 164.83 8.71 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.915 -168.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.784 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 63.7 Cg_exo -48.79 -31.84 20.64 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.229 2.619 . . . . 0.0 114.558 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.88 -28.06 0.21 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -168.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.52 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 20.4 p -115.33 43.68 1.98 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -169.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.458 ' HA ' ' CA ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.53 26.59 1.95 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.04 -21.63 0.35 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -163.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.49 -32.54 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.631 -173.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.2 20.93 47.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.907 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.0 pt-20 -159.99 165.71 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.624 ' O ' HG23 ' B' ' 24' ' ' THR . 28.9 mm -124.71 111.2 27.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.8 47.58 19.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.0 109.963 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -0.72 24.25 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.072 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.624 HG23 ' O ' ' B' ' 21' ' ' ILE . 0.6 OUTLIER -119.63 158.36 49.59 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 117.165 0.483 . . . . 0.0 110.398 -174.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . 0.619 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.0 Cg_endo -55.56 145.15 71.1 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.962 2.441 . . . . 0.0 112.247 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 48.9 t -97.66 137.85 21.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.2 Cg_exo -30.1 -54.99 0.2 Allowed 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.847 4.365 . . . . 0.0 116.402 -177.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.96 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.52 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 23.9 p -131.21 100.02 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -76.69 52.4 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 112.205 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.85 47.59 3.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.734 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.416 ' HB3' ' HD3' ' C' ' 49' ' ' LYS . 42.6 mttm -112.5 -44.63 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' B' ' 16' ' ' GLU . . . 115.59 -38.8 2.96 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -172.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.8 m -114.65 163.54 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 0.0 111.722 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.3 pt -124.7 166.01 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.001 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.492 HD21 HD21 ' B' ' 44' ' ' LEU . 4.8 mp -87.52 163.34 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.456 0.646 . . . . 0.0 112.432 -174.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 74.6 p -105.25 -177.61 3.41 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.54 98.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.904 0.775 . . . . 0.0 111.43 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.12 -39.22 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.362 . . . . 0.0 110.473 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.6 -29.91 71.16 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.765 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.513 ' HA ' HD21 ' B' ' 44' ' ' LEU . 14.7 m-30 -69.45 -34.14 73.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.377 0.132 . . . . 0.0 110.675 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 42.0 m -69.3 -35.3 75.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 173.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.423 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.9 mp -86.55 -16.44 36.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.119 -174.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -82.88 -43.12 16.94 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.104 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.49 -22.41 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.337 0.589 . . . . 0.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -74.72 -42.96 57.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.133 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 47' ' ' ILE . 20.4 pt -79.73 -29.22 12.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.711 -176.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 75.1 mm-40 -54.12 -59.26 4.89 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.152 0.501 . . . . 0.0 109.778 167.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' B' ' 53' ' ' LYS . 2.9 ttmp? -76.39 -3.68 38.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.844 -164.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -117.56 -1.51 11.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.319 -1.352 . . . . 0.0 113.452 170.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -122.47 -45.23 2.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.324 0.511 . . . . 0.0 111.293 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.467 ' HB2' HD13 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -120.61 -21.64 6.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.291 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.323 0.582 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 tt -121.31 131.96 71.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.252 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.69 43.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -15.35 62.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.789 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.43 -5.1 57.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -102.87 -17.77 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.717 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.54 -17.37 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.111 0.481 . . . . 0.0 110.629 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -134.58 131.67 38.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.57 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.69 140.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.484 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.18 131.17 46.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.387 0.613 . . . . 0.0 110.415 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.593 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -60.84 167.36 3.56 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.633 -168.399 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.593 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 71.1 Cg_exo -49.82 -35.66 40.27 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.921 2.414 . . . . 0.0 114.114 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -147.86 -28.5 0.34 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -167.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 26.7 p -115.29 44.04 1.91 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -148.4 -21.9 0.33 Allowed 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -163.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.0 -35.17 0.86 Allowed 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.798 -173.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.24 35.84 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.179 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.0 pt-20 -158.63 168.12 27.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.132 0.492 . . . . 0.0 110.766 -178.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.651 ' O ' HG23 ' C' ' 24' ' ' THR . 35.7 mm -126.25 109.97 22.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.19 48.87 12.13 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.336 0.398 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 0.93 15.02 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.998 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.651 HG23 ' O ' ' C' ' 21' ' ' ILE . 0.5 OUTLIER -119.76 157.94 50.97 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 117.297 0.548 . . . . 0.0 110.928 -173.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . 0.561 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 17.7 Cg_endo -56.71 141.06 91.98 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.123 2.549 . . . . 0.0 112.534 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.476 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 47.6 t -97.19 138.73 21.23 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -174.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.476 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 43.5 Cg_exo -28.71 -56.11 0.14 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.333 4.689 . . . . 0.0 116.264 -177.215 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.17 -5.09 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 0.0 111.97 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 32.0 p -130.39 97.91 4.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -76.9 50.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.84 46.85 3.3 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.674 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -110.99 -43.51 3.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 108.964 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.7 -38.65 3.06 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.1 m -116.24 164.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.651 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.427 HG21 ' SG ' ' C' ' 12' ' ' CYS . 16.9 pt -124.79 166.69 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.091 173.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.49 HD21 HD21 ' C' ' 44' ' ' LEU . 4.7 mp -87.7 163.88 16.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.448 0.642 . . . . 0.0 112.597 -174.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 62.3 p -105.73 -177.98 3.52 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.29 99.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 119.035 0.834 . . . . 0.0 111.364 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.499 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.02 -29.62 72.34 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.884 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.512 ' HA ' HD21 ' C' ' 44' ' ' LEU . 14.5 m-30 -69.58 -34.61 74.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.006 -0.114 . . . . 0.0 110.743 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 40.7 m -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.156 0.503 . . . . 0.0 110.616 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.422 ' O ' HG22 ' C' ' 47' ' ' ILE . 6.0 mp -86.95 -16.49 35.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.216 -174.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' C' ' 41' ' ' TYR . 0.7 OUTLIER -83.18 -42.68 17.02 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.068 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.4 -22.65 61.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.538 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -74.7 -43.22 56.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.471 HG23 HG21 ' B' ' 47' ' ' ILE . 20.3 pt -79.66 -29.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.772 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 76.5 mm-40 -53.67 -60.2 3.63 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 167.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' HB2' ' C' ' 53' ' ' LYS . 2.3 ttmp? -76.91 -2.39 33.34 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.0 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . 0.401 ' CE1' HD22 ' B' ' 36' ' ' LEU . 18.1 m80 -117.49 -1.67 11.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.336 -1.346 . . . . 0.0 113.534 169.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.467 HD13 ' HB2' ' B' ' 52' ' ' ASN . 3.2 mm? -122.12 -43.95 2.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.377 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . 0.407 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -121.43 -23.03 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.663 -168.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.508 ' HB2' ' HA ' ' C' ' 49' ' ' LYS . 23.6 mtmt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.98 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.905 0.859 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.95 134.26 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.811 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.34 151.23 49.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.004 0.431 . . . . 0.0 110.042 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -67.73 -9.8 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -174.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.47 -11.32 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.264 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -104.89 -6.65 19.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.402 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 6.7 mp -118.18 -19.57 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -140.21 137.79 34.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.408 173.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.0 148.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.514 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.13 132.74 51.34 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.741 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.8 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 29.3 t -66.88 161.22 63.84 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 123.777 0.831 . . . . 0.0 112.01 -169.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 21.0 Cg_exo -32.37 -44.5 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 123.687 2.925 . . . . 0.0 114.767 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -162.25 1.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -173.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 12.6 p -117.06 41.27 2.79 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 115.058 -2.657 . . . . 0.0 113.823 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.52 26.51 1.45 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -149.43 -26.78 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.5 -42.04 2.24 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.79 16.43 39.12 Favored Glycine 0 C--O 1.226 -0.369 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.184 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -158.48 164.85 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' O ' ' HB ' ' A' ' 24' ' ' THR . 37.2 mt -142.66 121.05 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 58.33 43.4 20.07 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.933 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.04 15.27 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.806 0.67 . . . . 0.0 112.31 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -121.6 146.3 45.05 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 114.129 -1.036 . . . . 0.0 110.509 -170.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.76 128.88 29.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.651 2.234 . . . . 0.0 111.888 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.06 135.38 44.9 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.636 -167.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -30.67 -57.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.154 1 C-N-CA 126.01 4.474 . . . . 0.0 116.085 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.32 -9.39 9.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -165.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -131.05 94.4 3.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.557 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -71.89 55.43 0.28 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.16 5.37 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.512 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -112.73 -43.18 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.486 0.66 . . . . 0.0 109.447 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 121.1 -38.48 2.67 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.307 -178.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -116.22 164.81 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 pt -128.17 161.52 36.35 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.869 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD23 HD22 ' A' ' 44' ' ' LEU . 4.3 mp -87.9 165.33 15.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -170.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.402 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 60.9 p -106.82 178.97 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.631 173.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.75 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.458 0.572 . . . . 0.0 111.8 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.05 -43.52 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.696 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.23 -31.75 78.19 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.001 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.516 ' HA ' HD22 ' A' ' 44' ' ' LEU . 4.9 m-85 -69.6 -32.22 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.131 0.172 . . . . 0.0 111.193 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.7 m -71.45 -31.25 66.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.489 0.662 . . . . 0.0 109.95 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 47' ' ' ILE . 5.7 mp -86.83 -20.09 28.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.677 -177.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -80.57 -43.88 19.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.837 -178.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.84 -22.75 61.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -74.17 -42.35 60.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.915 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 HG23 HG21 ' C' ' 47' ' ' ILE . 20.5 pt -79.18 -26.82 13.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 119.709 -0.797 . . . . 0.0 110.49 -177.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.2 mm-40 -55.34 -60.61 3.17 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.27 0.557 . . . . 0.0 109.706 167.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 15.4 ttpp -78.59 3.09 17.16 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.754 -165.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.49 ' NE2' HD21 ' C' ' 36' ' ' LEU . 59.4 m80 -117.16 -2.92 11.57 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 118.244 -1.382 . . . . 0.0 114.144 163.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.3 mm? -123.88 -43.58 2.11 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.779 0.718 . . . . 0.0 111.637 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.6 OUTLIER -119.89 -20.28 7.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.226 -168.01 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.607 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.5 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.715 175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.234 0.25 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.6 134.28 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.856 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.2 149.65 49.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.071 0.462 . . . . 0.0 109.814 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -67.18 -10.26 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.52 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 -10.36 59.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.223 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -104.97 -8.54 18.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.896 0.379 . . . . 0.0 111.026 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.95 -19.65 10.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.937 0.399 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -140.34 139.51 35.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.172 173.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -131.05 148.8 33.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.504 ' HB2' ' HG2' ' B' ' 16' ' ' GLU . . . -64.22 130.67 44.79 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.854 0.359 . . . . 0.0 110.64 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.881 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 47.0 t -65.41 159.92 63.12 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.239 1.015 . . . . 0.0 111.803 -169.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.881 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 18.3 Cg_exo -31.09 -44.56 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.18 3.253 . . . . 0.0 114.93 175.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.512 ' HZ1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -160.69 -2.07 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 31.4 p -116.67 39.25 3.22 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 117.159 -1.816 . . . . 0.0 113.056 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.37 25.77 1.84 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.652 0.739 . . . . 0.0 109.154 -179.014 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -148.81 -22.77 0.31 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -166.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.82 -43.97 1.67 Allowed 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.392 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.06 17.59 34.36 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.262 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -159.58 164.12 34.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.821 0.31 . . . . 0.0 110.402 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB ' ' B' ' 24' ' ' THR . 47.0 mt -142.79 117.95 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.817 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.46 44.91 14.29 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.745 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.91 22.17 11.73 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-O 122.168 0.871 . . . . 0.0 112.813 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.0 OUTLIER -125.83 145.09 50.56 Favored Pre-proline 0 C--N 1.298 -1.67 0 CA-C-N 114.023 -1.089 . . . . 0.0 110.053 -170.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.28 126.62 22.03 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.665 2.243 . . . . 0.0 111.681 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' B' ' 21' ' ' ILE . 42.4 t -80.46 135.26 53.59 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.703 -169.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -30.51 -58.68 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 125.95 4.433 . . . . 0.0 116.633 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.56 -11.62 9.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.271 0.558 . . . . 0.0 111.997 -165.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 22.2 p -130.08 93.49 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -71.57 54.63 0.23 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.62 5.27 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -113.65 -42.21 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' B' ' 16' ' ' GLU . . . 121.7 -38.96 2.47 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.375 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.64 163.62 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.9 pt -126.94 161.57 33.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.452 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.481 HD21 ' NE2' ' C' ' 50' ' ' HIS . 4.5 mp -87.75 166.07 14.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -171.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.431 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.7 p -106.68 -179.87 4.06 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.481 172.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -45.81 92.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.634 0.652 . . . . 0.0 111.36 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.24 -41.49 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.799 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.44 87.93 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.001 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.542 ' HA ' HD22 ' B' ' 44' ' ' LEU . 5.4 m-85 -69.85 -32.96 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.453 0.168 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 20.3 m -69.76 -31.65 69.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.438 0.637 . . . . 0.0 110.568 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.486 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.2 mp -87.06 -17.03 33.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.333 -176.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.4 OUTLIER -83.47 -44.61 14.55 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.895 -177.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.06 -22.24 61.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.344 0.592 . . . . 0.0 109.935 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -74.56 -41.61 60.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.099 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.486 HG22 ' O ' ' B' ' 43' ' ' LEU . 19.5 pt -79.45 -26.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.534 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -55.65 -60.11 3.9 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.303 0.573 . . . . 0.0 109.692 167.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.619 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 14.0 ttpp -79.22 2.93 19.41 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.104 -165.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.454 ' NE2' HD21 ' A' ' 36' ' ' LEU . 54.6 m80 -117.22 -2.31 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 118.156 -1.418 . . . . 0.0 114.285 163.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.425 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -123.46 -43.28 2.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.968 0.804 . . . . 0.0 111.741 176.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.22 -21.67 7.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.043 -168.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.619 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.2 mtmt . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.634 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.737 0.779 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -111.74 134.4 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.906 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.74 148.35 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.469 . . . . 0.0 110.134 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.31 -12.06 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.856 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.2 -10.27 59.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.251 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -105.4 -6.55 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.22 -19.89 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -140.49 138.05 34.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.077 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.39 148.35 33.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -175.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.508 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -63.52 131.07 46.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.085 0.469 . . . . 0.0 110.641 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.937 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 25.5 t -64.82 161.15 48.55 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 124.022 0.929 . . . . 0.0 112.056 -169.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.937 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 15.6 Cg_exo -32.09 -43.81 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.946 3.097 . . . . 0.0 115.152 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . 0.537 ' HZ1' ' HB2' ' C' ' 14' ' ' LYS . 0.0 OUTLIER -161.19 -4.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.784 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 29.4 p -115.91 39.74 2.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 117.652 -1.619 . . . . 0.0 112.984 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.508 ' HG2' ' HB2' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -89.11 24.4 2.14 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -148.48 -21.3 0.33 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -166.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.0 -43.47 1.5 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -168.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.37 15.84 42.57 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.429 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -158.71 163.38 36.87 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.359 -0.495 . . . . 0.0 109.922 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.516 ' O ' ' HB ' ' C' ' 24' ' ' THR . 51.9 mt -142.59 119.03 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.18 44.75 15.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.795 1.309 . . . . 0.0 110.805 -170.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.89 16.82 8.28 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 121.836 0.687 . . . . 0.0 112.703 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.75 146.16 45.03 Favored Pre-proline 0 C--N 1.299 -1.591 0 CA-C-N 114.335 -0.933 . . . . 0.0 110.524 -170.384 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.97 125.92 20.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.962 2.441 . . . . 0.0 112.007 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 40.6 t -79.86 136.11 55.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.858 -169.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 64.8 Cg_exo -31.61 -57.28 0.24 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 125.898 4.399 . . . . 0.0 116.464 -176.191 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.35 -10.0 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 112.317 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 26.6 p -130.7 94.78 3.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -71.29 53.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.61 5.27 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.395 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -113.19 -40.92 3.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.671 . . . . 0.0 109.393 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 120.19 -38.9 2.6 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.338 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.57 164.12 13.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -127.54 161.07 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.732 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.49 HD21 ' NE2' ' A' ' 50' ' ' HIS . 4.5 mp -88.23 165.14 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -170.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' THR . . . . . 0.438 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 71.0 p -106.16 179.58 4.23 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.545 173.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.85 95.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.842 0.746 . . . . 0.0 111.348 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.49 -41.43 94.25 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.3 -33.75 83.39 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.834 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.544 ' HA ' HD22 ' C' ' 44' ' ' LEU . 6.0 m-85 -69.71 -33.59 72.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.893 -0.181 . . . . 0.0 111.153 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -69.49 -31.17 69.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.357 0.598 . . . . 0.0 110.579 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.462 ' O ' HG22 ' C' ' 47' ' ' ILE . 5.0 mp -87.25 -17.01 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 -177.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.4 OUTLIER -83.62 -44.69 14.3 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.797 -177.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.96 -21.48 61.59 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.289 0.566 . . . . 0.0 110.059 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -74.39 -42.4 59.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.954 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.475 HG21 HG23 ' A' ' 47' ' ' ILE . 19.4 pt -79.27 -26.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.676 -0.809 . . . . 0.0 110.534 -177.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.54 -60.19 3.78 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.206 0.527 . . . . 0.0 109.595 167.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.617 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 14.1 ttpp -78.99 2.75 19.32 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.021 -0.991 . . . . 0.0 112.837 -166.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . 0.481 ' NE2' HD21 ' B' ' 36' ' ' LEU . 58.9 m80 -117.11 -2.58 11.66 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 118.267 -1.373 . . . . 0.0 114.212 163.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.25 -42.49 2.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.836 0.744 . . . . 0.0 111.894 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -121.64 -19.23 6.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.163 -167.649 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.617 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.575 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 121.525 0.678 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.47 137.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.598 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.54 160.73 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.242 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -16.34 60.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.023 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.34 -8.17 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.752 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -103.83 3.69 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.488 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -124.93 -34.32 2.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.224 0.535 . . . . 0.0 110.493 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -134.74 143.47 47.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.793 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.88 140.66 48.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.86 135.32 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.193 0.521 . . . . 0.0 110.59 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.568 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -63.11 169.26 3.76 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.277 -170.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 95.5 Cg_exo -53.05 -33.07 61.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.805 2.337 . . . . 0.0 114.246 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 7.0 tmtm? -150.83 -30.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -165.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 p -116.33 42.67 2.35 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.814 -1.178 . . . . 0.0 114.103 -168.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.86 27.24 1.85 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.203 0.525 . . . . 0.0 109.955 -175.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -148.57 -25.09 0.32 Allowed 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.81 -31.94 2.62 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.101 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.41 41.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.057 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -151.15 159.81 44.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.011 0.406 . . . . 0.0 111.447 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.597 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.1 mm -130.2 109.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.52 45.26 10.86 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.172 0.295 . . . . 0.0 111.213 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.49 7.86 11.88 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.563 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -119.32 145.53 38.79 Favored Pre-proline 0 C--N 1.305 -1.351 0 C-N-CA 123.426 0.69 . . . . 0.0 110.168 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -54.85 132.97 55.11 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.089 2.526 . . . . 0.0 111.986 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 52.5 t -84.48 136.94 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.468 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.1 Cg_exo -29.13 -52.82 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.111 1 C-N-CA 126.182 4.588 . . . . 0.0 116.021 -177.071 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.15 -6.41 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 111.871 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 30.3 p -132.66 88.79 2.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.233 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -76.61 60.17 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.96 0.409 . . . . 0.0 111.533 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.88 46.05 2.98 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.838 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mppt? -126.2 -36.35 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 109.76 -39.2 2.99 Favored Glycine 0 N--CA 1.434 -1.456 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.18 164.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.028 0.442 . . . . 0.0 111.777 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.1 pt -127.55 162.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.468 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD23 HD22 ' A' ' 44' ' ' LEU . 3.0 mp -87.93 157.15 19.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.714 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -107.26 176.15 5.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.562 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.52 70.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -52.79 60.43 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.81 -27.87 73.13 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.856 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.51 ' HA ' HD22 ' A' ' 44' ' ' LEU . 13.0 m-85 -68.82 -34.19 75.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.532 -0.393 . . . . 0.0 110.908 176.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -70.32 -31.53 68.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.443 0.64 . . . . 0.0 110.493 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.611 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.9 mp -86.06 -23.11 26.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.094 -174.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -77.73 -40.39 41.33 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.125 -179.317 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.052 0.453 . . . . 0.0 110.49 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.496 ' CZ ' HD22 ' C' ' 36' ' ' LEU . 64.2 t80 -75.16 -39.0 60.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 175.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 43' ' ' LEU . 29.2 pt -78.0 -33.76 18.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.813 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -51.79 -62.21 1.77 Allowed 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.397 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.0 ttmt -77.79 -3.38 41.12 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.831 -161.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.655 ' O ' HD23 ' A' ' 51' ' ' LEU . 90.4 m-70 -117.25 -2.55 11.6 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 117.383 -1.727 . . . . 0.0 113.956 169.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -126.75 -46.76 1.56 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.561 0.619 . . . . 0.0 112.137 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -106.56 -25.25 11.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 14.1 mtmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.257 -0.877 . . . . 0.0 109.795 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.15 137.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.593 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.82 159.41 25.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.859 0.361 . . . . 0.0 110.254 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -63.23 -16.2 59.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.975 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.08 -8.7 59.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -103.34 1.77 33.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.613 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -122.38 -33.7 3.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.321 0.581 . . . . 0.0 110.628 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -134.61 145.87 49.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.749 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.18 141.14 46.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.403 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.6 135.99 56.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.689 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -61.33 167.2 4.27 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.644 -171.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.689 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 82.6 Cg_exo -51.64 -31.67 41.55 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.592 2.194 . . . . 0.0 114.342 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 7.0 tmtm? -151.2 -30.42 0.18 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -164.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 26' ' ' CYS . 15.5 p -117.34 43.39 2.35 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -168.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -91.07 27.32 1.89 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 109.894 -176.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -148.93 -24.09 0.31 Allowed 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -166.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.57 -32.84 2.13 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.965 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.72 23.12 43.66 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.434 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 5.9 pt-20 -149.36 159.61 44.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.109 0.455 . . . . 0.0 111.135 -175.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.538 ' O ' ' HB ' ' B' ' 24' ' ' THR . 29.8 mm -130.42 109.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.11 46.01 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.354 0.409 . . . . 0.0 110.998 -177.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.57 8.9 10.56 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.733 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.538 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -119.94 145.37 39.54 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 114.75 -0.725 . . . . 0.0 110.202 -170.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.33 133.36 55.64 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.155 2.57 . . . . 0.0 111.725 -176.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 51.1 t -84.65 137.48 38.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.441 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.3 Cg_exo -29.25 -52.41 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 126.103 4.535 . . . . 0.0 115.942 -177.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.82 -3.79 4.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.906 0.384 . . . . 0.0 111.967 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 18.0 p -133.25 90.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.054 0.454 . . . . 0.0 109.888 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -77.35 57.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.417 . . . . 0.0 111.28 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 49.92 2.19 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.909 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -127.89 -36.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.22 -39.24 2.97 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.401 HG11 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -114.94 164.87 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 111.837 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.02 162.5 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.453 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.481 HD22 ' CZ ' ' C' ' 46' ' ' PHE . 2.9 mp -87.79 157.65 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.89 176.6 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.505 170.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.97 69.5 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -52.3 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.41 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -66.05 -28.07 73.38 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.907 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.512 ' HA ' HD22 ' B' ' 44' ' ' LEU . 13.4 m-85 -68.59 -33.99 75.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.37 -0.488 . . . . 0.0 111.023 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -70.43 -31.77 69.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.355 0.597 . . . . 0.0 110.554 174.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.59 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.0 mp -86.14 -23.04 26.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' B' ' 41' ' ' TYR . 0.9 OUTLIER -77.74 -40.83 39.73 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.138 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.94 -24.04 62.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.46 ' CZ ' HD22 ' A' ' 36' ' ' LEU . 64.8 t80 -75.21 -39.62 59.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 175.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.59 HG23 ' O ' ' B' ' 43' ' ' LEU . 28.6 pt -77.91 -34.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.666 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -50.91 -62.1 1.81 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.503 0.668 . . . . 0.0 109.52 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.482 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.9 ttmt -77.48 -4.37 45.18 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.944 -162.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.662 ' O ' HD23 ' B' ' 51' ' ' LEU . 91.5 m-70 -116.6 -2.71 11.89 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.499 -1.68 . . . . 0.0 113.853 170.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.662 HD23 ' O ' ' B' ' 50' ' ' HIS . 12.6 mt -127.29 -45.77 1.52 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.605 0.639 . . . . 0.0 112.208 174.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.55 -25.21 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.8 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.383 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.581 0.705 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -149.02 137.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.527 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.0 159.41 24.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -64.97 -14.85 61.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.669 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.69 -7.86 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.816 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.96 3.72 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.716 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.26 -33.41 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.35 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -135.68 144.31 45.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.005 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.89 140.89 47.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.64 135.08 55.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.721 0.295 . . . . 0.0 110.865 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.69 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.4 OUTLIER -59.12 167.58 2.0 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.879 0.872 . . . . 0.0 112.917 -172.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.69 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 89.4 Cg_exo -52.64 -32.33 53.98 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.792 2.328 . . . . 0.0 114.089 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -149.14 -33.14 0.21 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -165.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' C' ' 26' ' ' CYS . 23.2 p -116.53 44.78 1.94 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -167.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.4 26.33 2.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.26 0.553 . . . . 0.0 110.01 -176.703 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -148.06 -21.98 0.35 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -165.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.64 -32.39 1.7 Allowed 'General case' 0 C--N 1.343 0.283 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.108 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.3 20.9 50.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.447 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 4.0 pt-20 -147.36 158.46 43.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.215 0.507 . . . . 0.0 111.148 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.587 ' O ' ' HB ' ' C' ' 24' ' ' THR . 29.2 mm -129.81 110.0 18.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.62 46.15 15.03 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.145 0.278 . . . . 0.0 110.864 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.85 9.54 10.63 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.807 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -119.64 145.22 38.64 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.661 -0.77 . . . . 0.0 110.094 -170.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.62 132.34 50.88 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.774 2.316 . . . . 0.0 111.658 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 52.9 t -82.72 138.14 43.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 51.6 Cg_exo -30.01 -53.46 0.2 Allowed 'Trans proline' 0 C--N 1.358 1.078 1 C-N-CA 125.959 4.439 . . . . 0.0 115.907 -178.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.64 -2.94 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -169.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.473 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 16.8 p -133.7 91.05 2.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.985 0.421 . . . . 0.0 109.918 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -76.79 58.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.66 47.44 2.73 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.947 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -125.8 -37.08 2.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 110.9 -39.32 2.94 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' C' ' 11' ' ' ALA . 34.0 m -114.37 164.63 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.063 0.459 . . . . 0.0 111.723 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 18.0 pt -128.09 162.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.456 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.496 HD22 ' CZ ' ' A' ' 46' ' ' PHE . 2.9 mp -87.71 157.36 19.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.699 0.761 . . . . 0.0 112.918 -172.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -108.05 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.493 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.76 -44.9 70.38 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.24 -52.61 60.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . 0.422 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -66.0 -27.87 73.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.975 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.506 ' HA ' HD22 ' C' ' 44' ' ' LEU . 13.1 m-85 -68.71 -33.91 74.74 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.433 -0.451 . . . . 0.0 110.863 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 11.8 m -70.32 -31.88 69.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.512 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.614 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.9 mp -86.01 -23.01 27.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.18 -174.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' C' ' 41' ' ' TYR . 1.0 OUTLIER -77.91 -40.49 39.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.076 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.07 -24.24 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.481 ' CZ ' HD22 ' B' ' 36' ' ' LEU . 64.5 t80 -75.25 -38.98 60.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.717 175.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.614 HG23 ' O ' ' C' ' 43' ' ' LEU . 28.9 pt -78.18 -34.05 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.771 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -51.13 -62.36 1.66 Allowed 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.331 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.524 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 30.4 ttmt -77.13 -4.81 46.4 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.658 -161.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . 0.679 ' O ' HD23 ' C' ' 51' ' ' LEU . 93.6 m-70 -116.55 -2.82 11.9 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 117.547 -1.661 . . . . 0.0 114.009 171.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.679 HD23 ' O ' ' C' ' 50' ' ' HIS . 12.2 mt -127.19 -45.72 1.53 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.552 0.615 . . . . 0.0 112.332 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.77 -24.2 11.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.524 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.0 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.104 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -148.04 142.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.526 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.29 161.46 21.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.875 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -65.66 -15.02 62.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.077 0.465 . . . . 0.0 110.837 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.02 -5.27 58.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -102.12 -5.37 24.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.92 -26.33 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.083 0.468 . . . . 0.0 110.561 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -137.69 146.43 43.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -128.67 139.33 52.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.298 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.466 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.86 133.95 54.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.89 0.376 . . . . 0.0 110.778 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.838 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 11.2 t -64.85 157.08 77.08 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.838 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 45.5 Cg_exo -38.82 -35.3 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.611 2.874 . . . . 0.0 114.851 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -146.55 -29.77 0.38 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -167.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.9 p -119.33 46.91 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -167.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -91.08 24.74 2.71 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -173.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -148.81 -17.98 0.31 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 -174.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -117.27 -42.08 2.93 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.647 -171.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.457 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.16 10.09 57.58 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.072 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 5.5 pt-20 -151.06 164.43 36.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 110.352 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 24' ' ' THR . 19.9 mt -143.62 124.27 9.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 173.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.55 45.75 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.574 0.546 . . . . 0.0 110.473 -172.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.484 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 59.46 8.28 6.85 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.14 -0.552 . . . . 0.0 114.183 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -119.81 153.76 54.84 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 117.694 0.747 . . . . 0.0 111.393 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 17.3 Cg_endo -54.32 122.83 12.2 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.21 2.607 . . . . 0.0 111.18 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.54 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 47.1 t -75.82 140.71 71.08 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.468 -168.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.54 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.2 Cg_exo -26.23 -52.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 1 C-N-CA 126.327 4.685 . . . . 0.0 116.691 -177.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.75 -3.5 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.319 0.58 . . . . 0.0 112.147 -169.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.8 p -131.57 89.75 2.75 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -73.08 54.04 0.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.13 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 91.75 50.58 2.67 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.314 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -126.53 -38.96 2.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.32 2.8 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.4 163.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.224 0.535 . . . . 0.0 112.273 -175.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 pt -125.44 157.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.214 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 HD23 HD21 ' A' ' 44' ' ' LEU . 4.5 mp -88.38 159.27 18.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.441 0.639 . . . . 0.0 112.502 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.32 176.08 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.226 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.21 63.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HG3' HG21 ' C' ' 3' ' ' ILE . 48.9 tt0 -58.37 -47.07 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 111.215 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.1 -27.58 73.5 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.779 -0.725 . . . . 0.0 111.718 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.522 ' HA ' HD21 ' A' ' 44' ' ' LEU . 5.8 m-85 -70.43 -33.01 70.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.939 -0.154 . . . . 0.0 111.358 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -70.25 -33.86 72.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.366 0.603 . . . . 0.0 110.628 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.8 mp -86.23 -16.14 38.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.73 -175.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.631 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.45 -41.58 16.47 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.551 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.91 -24.97 63.46 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.198 0.523 . . . . 0.0 110.514 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.07 -41.08 59.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.162 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.489 HG12 ' HA ' ' A' ' 44' ' ' LEU . 22.7 pt -80.46 -28.85 11.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.683 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 80.7 mm-40 -56.56 -59.03 5.58 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 121.261 0.553 . . . . 0.0 110.047 168.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 12.5 ttpt -77.42 0.9 20.78 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.542 -166.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -117.94 -1.44 11.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.401 -1.32 . . . . 0.0 113.797 165.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 HD22 ' O ' ' A' ' 47' ' ' ILE . 3.4 mm? -125.56 -37.5 2.34 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.394 0.543 . . . . 0.0 112.396 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HB2' HD13 ' B' ' 51' ' ' LEU . 0.5 OUTLIER -128.08 -20.4 3.79 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -168.076 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.6 mtmt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.253 -0.88 . . . . 0.0 109.174 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.705 0.764 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -147.32 141.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.6 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.33 22.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.704 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -64.85 -13.86 57.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.233 0.54 . . . . 0.0 110.968 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.18 -5.87 58.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.807 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -102.71 -4.86 24.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.944 0.402 . . . . 0.0 110.938 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.22 -26.58 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.696 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -137.53 146.0 43.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.993 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.04 139.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.196 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.464 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -64.21 135.02 55.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.861 0.362 . . . . 0.0 110.779 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.864 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 t -66.72 155.64 88.8 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.864 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.0 Cg_exo -36.85 -35.82 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.725 2.95 . . . . 0.0 115.156 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -146.77 -29.46 0.38 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 14.2 p -118.18 46.96 1.68 Allowed 'General case' 0 C--O 1.243 0.721 0 O-C-N 120.683 -1.26 . . . . 0.0 114.387 -169.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.543 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -89.98 24.36 2.46 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.828 0.346 . . . . 0.0 110.766 -174.747 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 -21.26 0.33 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -174.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.89 -40.51 3.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.384 -171.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 93.3 11.61 58.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.112 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.7 pt-20 -150.71 165.09 34.51 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 120.999 0.428 . . . . 0.0 110.172 -175.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.521 ' O ' HG22 ' B' ' 24' ' ' THR . 24.6 mt -145.37 123.45 4.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 46.42 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.735 0.647 . . . . 0.0 110.773 -171.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.32 12.9 6.48 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.137 0.415 . . . . 0.0 114.137 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.521 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.5 OUTLIER -122.88 152.53 62.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.23 0.515 . . . . 0.0 111.465 -173.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . 0.434 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 17.1 Cg_endo -54.7 118.71 5.4 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.21 2.607 . . . . 0.0 111.444 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.532 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 45.2 t -73.54 140.77 79.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.573 -169.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.532 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.6 Cg_exo -25.1 -57.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.079 1 C-N-CA 126.387 4.725 . . . . 0.0 116.321 -177.041 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.42 -4.31 5.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.152 0.501 . . . . 0.0 111.739 -168.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 29.4 p -130.96 89.93 2.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -73.35 55.64 0.47 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.104 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 92.18 46.71 3.51 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.71 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -123.91 -37.94 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 114.44 -39.24 2.87 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.03 163.07 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 112.171 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.9 157.25 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.262 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.473 HD23 HD21 ' B' ' 44' ' ' LEU . 4.6 mp -88.42 159.73 17.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 112.65 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -106.62 175.44 5.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.352 172.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.74 63.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -174.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -58.81 -46.39 87.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.319 . . . . 0.0 111.408 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.56 73.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.481 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' B' ' 44' ' ' LEU . 7.3 m-85 -70.23 -33.69 71.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.039 -0.094 . . . . 0.0 111.157 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -69.98 -33.59 72.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.392 0.615 . . . . 0.0 110.643 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 47' ' ' ILE . 4.9 mp -86.35 -16.66 36.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.601 -175.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -84.16 -41.9 16.55 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.413 -179.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.93 -24.67 63.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.145 0.497 . . . . 0.0 110.514 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -75.31 -41.09 57.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' B' ' 44' ' ' LEU . 22.8 pt -80.38 -28.84 12.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.615 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.9 mm-40 -56.49 -58.99 5.65 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.333 0.587 . . . . 0.0 110.038 168.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.588 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 12.1 ttpt -77.64 0.95 21.29 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.593 -166.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -117.82 -1.41 11.55 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.347 -1.341 . . . . 0.0 113.854 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.471 HD22 ' O ' ' B' ' 47' ' ' ILE . 3.4 mm? -125.18 -37.28 2.42 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.398 0.545 . . . . 0.0 112.286 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.408 ' HB2' HD13 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -128.97 -20.01 3.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -167.73 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.588 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.2 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.466 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 121.672 0.749 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.4 HG21 ' HG3' ' A' ' 39' ' ' GLN . 17.6 tt -145.89 141.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.578 -177.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.89 161.01 22.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.636 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -64.89 -14.2 58.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 110.825 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.93 -6.52 59.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -101.36 -5.43 25.39 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.781 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.22 -26.25 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 110.66 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -137.71 146.81 44.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.959 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -128.73 139.45 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.317 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.443 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -63.81 134.15 54.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.91 0.386 . . . . 0.0 110.755 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.886 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 6.2 t -66.29 157.18 82.77 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -169.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.886 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -37.84 -38.3 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.648 2.899 . . . . 0.0 114.635 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -144.45 -29.82 0.47 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -166.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 9.3 p -117.51 46.85 1.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.43 24.76 2.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.758 0.313 . . . . 0.0 111.087 -175.251 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.417 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -148.42 -22.37 0.33 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -174.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . 0.417 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -113.69 -39.19 4.09 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.908 -171.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . 0.42 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.17 12.89 61.11 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.586 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.76 162.87 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.517 HD11 ' SG ' ' C' ' 26' ' ' CYS . 24.5 mt -145.94 125.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.84 43.87 30.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.677 0.611 . . . . 0.0 110.822 -172.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.98 7.68 7.06 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.116 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.494 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.6 OUTLIER -119.89 152.94 54.61 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 117.339 0.569 . . . . 0.0 110.854 -175.042 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 16.0 Cg_endo -54.56 123.49 13.79 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.225 2.617 . . . . 0.0 111.385 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.634 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 46.5 t -78.37 140.64 60.69 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.7 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.634 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 67.6 Cg_exo -25.82 -54.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 126.534 4.822 . . . . 0.0 116.647 -175.466 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.03 -4.3 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.903 -168.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 22.2 p -130.91 90.55 2.91 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -74.19 54.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 112.124 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 92.83 46.97 3.27 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.569 174.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -124.09 -38.76 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.93 -39.06 2.9 Favored Glycine 0 N--CA 1.435 -1.417 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.63 163.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 0.0 112.183 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.84 157.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.364 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.469 HD23 HD21 ' C' ' 44' ' ' LEU . 4.6 mp -88.57 158.71 18.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.591 0.71 . . . . 0.0 112.67 -170.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.4 174.91 5.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.182 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.93 62.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -58.51 -46.41 86.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.369 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.11 -27.58 73.65 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.594 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.535 ' HA ' HD21 ' C' ' 44' ' ' LEU . 6.1 m-85 -70.37 -32.6 70.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.883 -0.187 . . . . 0.0 111.279 175.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 10.4 m -70.48 -33.84 71.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.377 0.608 . . . . 0.0 110.703 172.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.448 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.9 mp -86.26 -16.6 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 -175.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.496 -179.372 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.0 -25.27 63.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.108 0.48 . . . . 0.0 110.548 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.99 -40.79 60.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.12 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' C' ' 44' ' ' LEU . 23.6 pt -80.55 -29.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.661 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.8 mm-40 -56.43 -59.21 5.3 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.356 0.598 . . . . 0.0 109.996 168.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.594 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 12.1 ttpt -77.44 1.01 20.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.357 -167.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -118.02 -1.47 11.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 118.388 -1.325 . . . . 0.0 113.975 165.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.464 HD22 ' O ' ' C' ' 47' ' ' ILE . 3.4 mm? -125.43 -36.85 2.42 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.358 0.526 . . . . 0.0 112.366 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . 0.424 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -128.83 -20.54 3.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -167.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.594 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 12.9 mtmt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.057 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.491 0.663 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 tt -128.7 135.5 62.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.262 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 155.8 37.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.149 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -65.41 -9.04 21.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.901 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.36 -13.41 59.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.43 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -105.18 3.65 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 75.3 mt -119.32 -29.61 5.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.994 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -143.2 145.79 33.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.933 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.55 146.45 31.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.705 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.64 135.84 56.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.215 0.531 . . . . 0.0 111.464 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -64.57 172.59 2.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -170.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 39.3 Cg_exo -41.3 -46.7 5.6 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 123.621 2.881 . . . . 0.0 113.74 170.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.2 0.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 -174.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 11.4 p -114.67 37.75 3.33 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 117.893 -1.523 . . . . 0.0 114.229 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.35 22.23 3.48 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.186 0.517 . . . . 0.0 110.214 -178.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 -11.3 0.42 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.01 -33.81 1.13 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.667 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.48 23.15 57.18 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.972 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -146.17 163.4 35.5 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.59 0.71 . . . . 0.0 110.799 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.503 ' O ' ' HB ' ' A' ' 24' ' ' THR . 34.1 mm -128.62 108.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 171.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 60.28 47.4 9.15 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.228 0.33 . . . . 0.0 111.085 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.45 9.21 29.83 Favored Glycine 0 N--CA 1.468 0.805 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.665 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -123.29 145.58 46.88 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.378 -0.911 . . . . 0.0 110.52 -169.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.14 131.54 43.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.906 2.404 . . . . 0.0 112.154 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.6 t -81.41 135.0 50.57 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -171.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -32.64 -58.75 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.892 4.395 . . . . 0.0 116.059 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.86 -11.39 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.412 -167.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 17.9 p -129.41 90.98 3.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 m -74.39 54.15 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.958 -0.464 . . . . 0.0 112.11 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.43 46.86 2.91 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.75 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -117.05 -42.23 2.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.79 -38.28 3.3 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.446 HG13 ' HA ' ' A' ' 11' ' ' ALA . 31.1 m -117.24 165.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.888 0.375 . . . . 0.0 111.545 -176.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 ' SG ' ' A' ' 12' ' ' CYS . 3.3 pt -124.28 160.38 28.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.953 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 HD22 HD21 ' A' ' 44' ' ' LEU . 4.0 mp -86.28 167.72 14.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 113.137 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.0 p -104.44 179.98 4.11 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.115 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.04 99.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.462 0.574 . . . . 0.0 110.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.34 -42.43 98.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.504 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.43 69.84 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.595 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.505 ' HA ' HD21 ' A' ' 44' ' ' LEU . 3.1 m-85 -69.65 -33.78 73.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.6 m -69.3 -32.06 70.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.537 0.684 . . . . 0.0 109.693 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 47' ' ' ILE . 5.3 mp -86.73 -22.06 26.23 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -174.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -80.61 -44.16 19.38 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.313 -177.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.71 -23.51 60.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.75 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' C' ' 36' ' ' LEU . 66.1 t80 -75.14 -38.81 60.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.358 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 43' ' ' LEU . 20.3 pt -79.29 -29.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.353 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.531 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 58.7 mm-40 -56.4 -56.99 14.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.982 169.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 24.1 ttmm -78.34 1.08 23.06 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -167.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -116.56 -1.95 12.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 118.224 -1.39 . . . . 0.0 114.232 167.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -120.45 -39.67 2.75 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.442 0.639 . . . . 0.0 111.114 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.409 ' OD1' HD13 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -124.95 -29.86 3.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.46 -166.63 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HE2' ' HB3' ' A' ' 48' ' ' GLN . 7.2 mtmm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.964 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.796 0.808 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.7 tt -127.47 135.4 63.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.382 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.63 156.46 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.116 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.4 -7.3 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.928 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.52 -14.19 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.24 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -105.16 3.99 30.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.5 . . . . 0.0 110.188 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 75.3 mt -120.35 -30.15 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.427 ' CD ' ' HZ2' ' B' ' 32' ' ' LYS . 14.3 mt-10 -143.18 145.26 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.918 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.31 146.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.457 ' HA ' HG13 ' B' ' 34' ' ' VAL . . . -65.11 135.93 56.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.242 0.544 . . . . 0.0 111.536 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.613 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.8 OUTLIER -63.39 173.09 1.31 Allowed Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -170.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -41.15 -48.04 5.06 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 113.451 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 -0.03 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.702 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -113.75 38.65 2.89 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.167 -1.413 . . . . 0.0 114.303 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.82 22.65 3.48 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.432 -179.065 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -8.33 0.48 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.78 -35.48 0.87 Allowed 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.344 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.02 59.18 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.218 -0.992 . . . . 0.0 113.073 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.702 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -143.13 164.32 30.47 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 30.2 mm -129.61 109.52 18.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.008 171.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 58.85 49.0 10.41 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.43 0.456 . . . . 0.0 110.833 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.19 12.4 37.55 Favored Glycine 0 N--CA 1.466 0.654 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.466 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.97 144.74 52.57 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 114.304 -0.948 . . . . 0.0 111.1 -169.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.88 132.55 50.47 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.676 2.251 . . . . 0.0 111.808 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.6 t -82.74 135.18 46.12 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.745 -171.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 76.5 Cg_exo -33.15 -59.7 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.772 1 C-N-CA 125.555 4.17 . . . . 0.0 115.992 -178.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.71 -11.16 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.392 -167.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.577 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 14.6 p -129.25 90.71 3.06 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -74.74 54.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.882 -0.511 . . . . 0.0 112.014 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.05 2.53 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.629 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.427 ' HZ2' ' CD ' ' B' ' 9' ' ' GLU . 13.8 mtpp -119.1 -43.26 2.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.8 -38.5 3.16 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' B' ' 11' ' ' ALA . 31.1 m -117.3 165.4 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.814 0.34 . . . . 0.0 111.647 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.613 HG23 ' SG ' ' B' ' 12' ' ' CYS . 3.4 pt -124.49 159.98 29.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.026 175.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.475 HD22 HD21 ' B' ' 44' ' ' LEU . 4.0 mp -86.3 167.14 15.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.828 0.823 . . . . 0.0 113.122 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -104.06 -179.75 4.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.269 -1.332 . . . . 0.0 107.936 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.06 99.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 118.465 0.575 . . . . 0.0 110.425 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.8 -42.91 98.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.58 -31.61 70.88 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.781 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.52 ' HA ' HD21 ' B' ' 44' ' ' LEU . 3.0 m-85 -69.66 -33.88 73.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 19.3 m -69.37 -31.78 70.4 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.575 0.703 . . . . 0.0 109.654 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.467 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.3 mp -86.97 -21.69 26.03 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.827 -174.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.04 -44.55 17.88 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.31 -177.557 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.56 -23.55 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.564 -176.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 66.6 t80 -74.89 -39.01 61.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 43' ' ' LEU . 21.1 pt -79.19 -29.06 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.434 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.539 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 57.8 mm-40 -56.64 -57.36 12.72 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 169.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.627 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 23.3 ttmm -78.8 1.91 21.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -167.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -116.51 -1.27 12.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 118.323 -1.351 . . . . 0.0 114.067 165.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.435 HD22 ' O ' ' B' ' 47' ' ' ILE . 3.6 mm? -121.44 -37.43 2.91 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.524 0.602 . . . . 0.0 111.428 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.455 ' OD1' HD13 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -128.45 -25.81 2.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.676 -166.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.627 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.576 0.703 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 tt -124.19 135.13 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.479 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.16 154.61 39.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.194 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -64.8 -9.47 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.013 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.85 -12.22 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.403 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.99 3.31 30.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.115 0.483 . . . . 0.0 110.252 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.416 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 76.2 mt -119.79 -29.97 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -142.94 145.2 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.055 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.38 147.56 31.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.492 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -65.08 133.71 52.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.14 0.495 . . . . 0.0 111.853 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.789 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -61.5 172.08 1.13 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.766 1.227 . . . . 0.0 113.757 -171.122 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.789 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 39.2 Cg_exo -40.8 -46.32 4.83 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 123.916 3.077 . . . . 0.0 114.503 170.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.77 0.4 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.73 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 8.3 p -115.51 40.18 2.79 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 120.745 -1.222 . . . . 0.0 113.84 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.56 22.38 3.5 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.242 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.88 -8.61 0.47 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.18 -33.33 1.02 Allowed 'General case' 0 C--N 1.348 0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.51 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . 0.422 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 82.62 19.3 64.11 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.983 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.73 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.3 OUTLIER -142.62 163.71 32.09 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.568 0.699 . . . . 0.0 110.909 -178.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.401 ' O ' ' HB ' ' C' ' 24' ' ' THR . 30.5 mm -128.79 109.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 59.47 49.07 9.05 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.261 0.351 . . . . 0.0 110.943 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.33 12.57 32.51 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.636 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 0.9 OUTLIER -128.53 145.95 58.04 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 114.309 -0.946 . . . . 0.0 111.267 -169.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -58.22 130.74 39.31 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.701 2.268 . . . . 0.0 112.248 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 46.5 t -80.2 133.89 56.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.477 -171.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -32.57 -60.24 0.2 Allowed 'Trans proline' 0 CA--C 1.539 0.734 1 C-N-CA 125.334 4.023 . . . . 0.0 115.963 -178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.17 -12.02 12.57 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 111.721 -166.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 14.6 p -129.78 93.13 3.45 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.3 m -74.47 54.11 0.57 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.034 0.445 . . . . 0.0 112.163 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.98 47.07 2.73 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.842 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -116.7 -42.16 3.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.21 -38.86 3.05 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' C' ' 11' ' ' ALA . 30.7 m -116.81 165.0 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.742 0.306 . . . . 0.0 111.488 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.63 159.87 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.882 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.454 HD22 HD21 ' C' ' 44' ' ' LEU . 4.0 mp -86.17 168.02 14.37 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 37.1 p -104.24 179.79 4.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.259 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.28 99.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.436 0.562 . . . . 0.0 110.406 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -60.79 -42.3 97.32 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.392 174.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.15 -31.47 69.2 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.803 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.515 ' HA ' HD21 ' C' ' 44' ' ' LEU . 3.1 m-85 -69.98 -32.62 70.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 19.2 m -69.99 -32.32 70.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.509 0.671 . . . . 0.0 109.805 173.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.479 ' O ' HG22 ' C' ' 47' ' ' ILE . 5.5 mp -86.76 -22.31 26.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.919 -174.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -80.21 -44.52 19.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.392 -177.729 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.7 -23.58 60.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.686 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.413 ' CZ ' HD21 ' B' ' 36' ' ' LEU . 65.8 t80 -75.33 -38.77 60.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.34 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.479 HG22 ' O ' ' C' ' 43' ' ' LEU . 21.4 pt -79.09 -29.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.419 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.528 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 58.8 mm-40 -56.16 -57.54 11.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.853 168.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.599 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 23.9 ttmm -78.65 1.86 21.4 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -116.46 -2.05 12.12 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.027 -1.469 . . . . 0.0 113.811 166.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.455 HD13 ' OD1' ' B' ' 52' ' ' ASN . 3.6 mm? -120.65 -41.58 2.57 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.186 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . 0.419 ' OD1' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -124.48 -25.5 4.04 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.424 -166.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.599 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.4 mtmm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.136 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.407 HG12 ' OE1' ' B' ' 39' ' ' GLN . 9.9 p . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 122.172 0.986 . . . . 0.0 108.866 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.33 133.64 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.42 149.68 44.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -61.2 -20.1 62.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.677 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -82.31 -3.49 55.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -102.85 -17.5 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 111.07 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -113.41 -12.22 13.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 0.0 110.272 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -135.19 136.79 42.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.75 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.66 147.42 32.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -64.26 134.06 53.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.035 0.445 . . . . 0.0 110.91 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.931 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 t -67.74 162.31 58.95 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 124.184 0.994 . . . . 0.0 111.774 -171.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.931 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 24.2 Cg_exo -34.94 -42.79 0.36 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.773 2.982 . . . . 0.0 114.85 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.544 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -161.56 -3.3 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -171.022 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 8.1 p -119.35 44.11 2.44 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.309 -1.356 . . . . 0.0 113.968 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.14 20.54 3.64 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.625 0.25 . . . . 0.0 111.261 -175.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.87 -13.58 0.27 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -174.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.42 -52.42 2.77 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -168.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 12.93 39.88 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.409 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.5 pt-20 -164.82 171.8 13.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 24' ' ' THR . 48.1 mt -140.15 124.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 170.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 53.47 43.49 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.667 0.605 . . . . 0.0 111.23 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 66.4 5.92 31.45 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.287 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -124.83 159.31 59.17 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 117.569 0.685 . . . . 0.0 111.237 -176.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.611 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.4 Cg_endo -56.63 134.03 61.78 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.051 2.501 . . . . 0.0 112.117 176.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.86 133.59 43.21 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.772 -172.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -28.22 -57.62 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 126.215 4.61 . . . . 0.0 116.242 -176.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.1 -12.51 12.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.827 0.676 . . . . 0.0 112.827 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.8 p -127.58 -1.61 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.383 -0.927 . . . . 0.0 113.047 -176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t 64.34 -64.88 0.14 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.57 30.16 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -167.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -100.87 -28.12 12.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.247 0.546 . . . . 0.0 109.76 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.27 -39.76 2.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.492 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.81 165.23 11.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 122.525 -0.397 . . . . 0.0 111.486 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.2 pt -127.01 159.46 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 HD21 HD22 ' A' ' 44' ' ' LEU . 5.1 mp -87.83 164.87 15.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.654 0.74 . . . . 0.0 112.627 -174.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.405 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 69.8 p -105.07 173.91 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.058 173.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.07 77.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.537 0.608 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' OE1' HG12 ' C' ' 2' ' ' VAL . 50.6 tp60 -50.27 -53.75 26.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.658 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.48 -30.36 77.66 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.469 -0.787 . . . . 0.0 113.227 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD22 ' A' ' 44' ' ' LEU . 5.5 m-85 -70.51 -32.2 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.052 0.426 . . . . 0.0 111.583 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.3 m -69.54 -30.65 68.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 0.0 110.036 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' HG21 ' A' ' 47' ' ' ILE . 4.3 mp -87.14 -13.91 42.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.574 -177.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.544 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.86 -43.21 14.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.033 178.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.59 -23.2 62.53 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.32 0.581 . . . . 0.0 110.309 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.14 -43.06 58.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.321 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 HG22 HG23 ' C' ' 47' ' ' ILE . 17.9 pt -79.23 -28.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.983 -176.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 20.2 mm-40 -55.46 -55.47 31.41 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.679 168.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.02 -6.24 51.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.904 -165.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.444 ' CE1' HD22 ' C' ' 36' ' ' LEU . 20.3 m80 -116.46 -1.57 12.22 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.494 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD21 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -118.32 -49.58 2.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.69 0.757 . . . . 0.0 110.521 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.421 HD21 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -113.08 -30.28 7.04 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.484 -167.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.527 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 122.177 0.989 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.09 134.37 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.016 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.15 148.98 46.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.178 0.513 . . . . 0.0 110.038 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -60.53 -20.33 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.545 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -82.52 -3.23 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.4 -173.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -103.68 -16.76 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.88 -12.48 13.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.542 . . . . 0.0 110.3 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -135.27 136.66 41.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.785 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.93 146.93 33.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.524 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -64.5 133.11 51.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 0.0 110.897 -177.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.958 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 8.5 t -65.4 163.26 34.24 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.831 0.852 . . . . 0.0 112.166 -171.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.958 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 27.4 Cg_exo -35.93 -43.17 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.516 2.81 . . . . 0.0 114.912 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.574 ' HZ1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -160.49 -3.96 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -171.55 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.474 ' O ' ' HA2' ' B' ' 33' ' ' GLY . 7.6 p -118.48 43.96 2.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 117.85 -1.54 . . . . 0.0 113.638 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.524 ' HG2' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.33 19.95 4.1 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 122.197 -0.314 . . . . 0.0 111.527 -175.609 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.7 -13.07 0.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -108.78 -52.46 2.76 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -167.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.02 12.74 41.93 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.128 -1.034 . . . . 0.0 112.34 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.8 pt-20 -165.39 171.78 13.01 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.667 ' O ' HG22 ' B' ' 24' ' ' THR . 44.8 mt -141.12 125.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 53.28 43.07 31.96 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.713 0.633 . . . . 0.0 111.0 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.46 7.16 31.93 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.558 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.667 HG22 ' O ' ' B' ' 21' ' ' ILE . 1.2 t -125.24 157.85 65.93 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 117.451 0.626 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . 0.58 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.3 Cg_endo -55.72 134.96 67.14 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.689 2.259 . . . . 0.0 111.746 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 9.9 t -86.79 134.09 38.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.015 -172.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -27.12 -59.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 126.068 4.512 . . . . 0.0 116.339 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.9 -12.87 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -166.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 21.4 p -126.81 -1.88 6.62 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.443 -0.903 . . . . 0.0 113.066 -176.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t 64.51 -65.07 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.643 0.589 . . . . 0.0 112.486 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.97 35.17 0.04 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.42 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 47.5 mtmt -105.13 -29.3 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.41 0.624 . . . . 0.0 109.981 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.18 -39.78 2.76 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.543 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -115.07 164.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.913 0.387 . . . . 0.0 111.254 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 pt -126.74 159.76 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.45 175.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.466 HD21 HD22 ' B' ' 44' ' ' LEU . 5.2 mp -87.61 165.52 15.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.515 0.674 . . . . 0.0 112.472 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -105.36 173.94 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.168 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -46.21 76.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.457 0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . 0.407 ' OE1' HG12 ' A' ' 2' ' ' VAL . 48.0 tp60 -50.29 -53.34 29.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.723 172.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.19 77.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.26 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.527 ' HA ' HD22 ' B' ' 44' ' ' LEU . 5.0 m-85 -70.55 -32.61 70.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.992 0.396 . . . . 0.0 111.552 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -69.15 -31.12 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.433 ' O ' HG21 ' B' ' 47' ' ' ILE . 4.2 mp -86.9 -13.6 44.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.437 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -85.02 -43.38 14.0 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.047 178.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.71 -22.97 62.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.3 0.572 . . . . 0.0 110.303 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.08 -43.3 58.2 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.325 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.48 HG22 HG23 ' A' ' 47' ' ' ILE . 17.7 pt -79.34 -28.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.879 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 19.9 mm-40 -55.4 -55.83 27.11 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.471 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 27.8 ttmt -77.31 -5.51 49.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.047 -165.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.447 ' CE1' HD22 ' A' ' 36' ' ' LEU . 20.3 m80 -116.51 -2.0 12.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 118.067 -1.453 . . . . 0.0 113.381 171.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.468 HD21 ' O ' ' B' ' 47' ' ' ILE . 3.6 mm? -117.78 -51.12 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.782 0.801 . . . . 0.0 110.421 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' B' ' 52' ' ' ASN . 0.2 OUTLIER -111.9 -28.54 8.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.48 -167.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.5 mtmt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.719 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . 0.476 HG12 ' OE1' ' A' ' 39' ' ' GLN . 9.9 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 122.239 1.019 . . . . 0.0 108.932 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 tt -140.38 133.88 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.733 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.85 150.92 45.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.068 0.461 . . . . 0.0 110.042 177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -61.9 -20.2 63.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.533 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.15 -4.16 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.35 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.24 -15.35 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.916 0.388 . . . . 0.0 110.972 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.6 -11.9 12.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.274 0.559 . . . . 0.0 110.421 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -135.75 137.29 41.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.786 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.46 146.55 33.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.496 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.35 133.45 52.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.07 0.462 . . . . 0.0 110.774 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.947 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 9.0 t -66.32 162.78 45.41 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 124.24 1.016 . . . . 0.0 111.808 -170.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.947 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 23.5 Cg_exo -35.06 -43.36 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.83 3.02 . . . . 0.0 114.851 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . 0.553 ' HZ1' ' HB2' ' C' ' 14' ' ' LYS . 0.0 OUTLIER -161.08 -4.1 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 14.4 p -118.18 43.32 2.48 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 117.845 -1.542 . . . . 0.0 114.179 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.554 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -88.82 20.16 3.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.694 0.283 . . . . 0.0 111.165 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -14.7 0.33 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -174.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.77 -52.67 2.74 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 13.05 39.48 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.543 -172.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -164.54 172.69 12.93 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.799 0.44 . . . . 0.0 109.942 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.573 ' O ' HG22 ' C' ' 24' ' ' THR . 45.3 mt -141.9 125.46 15.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 53.42 43.24 31.61 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.71 0.631 . . . . 0.0 111.067 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.21 11.4 39.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.412 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.585 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.8 OUTLIER -128.28 157.63 73.84 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 117.435 0.618 . . . . 0.0 111.26 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . 0.585 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 19.2 Cg_endo -56.56 133.67 59.48 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.06 2.507 . . . . 0.0 112.067 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.87 134.38 41.68 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -28.37 -59.3 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.774 1 C-N-CA 126.119 4.546 . . . . 0.0 116.19 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.42 -12.97 13.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -166.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 20.7 p -127.08 -2.4 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.357 -0.937 . . . . 0.0 113.054 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 42.6 t 64.29 -65.19 0.13 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.21 31.43 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -168.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -101.97 -28.97 12.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.377 0.608 . . . . 0.0 109.891 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.5 -39.84 2.75 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.458 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.04 164.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.9 0.381 . . . . 0.0 111.587 -176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 pt -127.14 159.36 37.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.505 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.463 HD21 HD22 ' C' ' 44' ' ' LEU . 5.2 mp -87.64 165.43 15.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.52 0.676 . . . . 0.0 112.499 -173.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' THR . . . . . 0.407 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 74.6 p -105.24 174.52 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.154 173.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.43 80.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.627 0.649 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -50.41 -53.54 28.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.34 77.68 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.235 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD22 ' C' ' 44' ' ' LEU . 5.3 m-85 -70.53 -32.49 69.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.031 0.415 . . . . 0.0 111.601 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 56.3 m -69.31 -31.02 69.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.492 0.663 . . . . 0.0 109.981 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.418 ' O ' HG21 ' C' ' 47' ' ' ILE . 4.1 mp -87.01 -13.5 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.509 -177.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -85.11 -43.33 13.97 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.001 179.014 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.78 -23.29 62.36 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.182 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -73.96 -43.0 59.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.315 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 47' ' ' ILE . 17.6 pt -79.26 -27.83 13.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.959 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 20.3 mm-40 -55.77 -55.39 32.98 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.667 168.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.464 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.4 ttmt -77.49 -5.33 49.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.903 -165.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . 0.455 ' CE1' HD22 ' B' ' 36' ' ' LEU . 20.5 m80 -116.79 -1.92 11.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.14 -1.424 . . . . 0.0 113.627 171.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.464 HD21 ' O ' ' C' ' 47' ' ' ILE . 3.6 mm? -117.96 -47.33 2.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.777 0.799 . . . . 0.0 110.726 173.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -30.06 6.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.405 -167.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.464 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 19.6 mtmt . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.858 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.235 1.017 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 tt -138.44 131.93 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.218 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.26 150.22 42.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.196 0.522 . . . . 0.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -63.92 -17.91 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.296 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.94 -4.45 56.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.128 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.33 -15.84 15.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.207 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.51 -16.77 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -133.12 135.68 45.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.123 175.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.76 142.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB2' ' CB ' ' A' ' 16' ' ' GLU . . . -63.66 135.21 56.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -59.56 166.88 2.81 Favored Pre-proline 0 N--CA 1.455 -0.204 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -170.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -46.67 -34.51 15.52 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.066 2.511 . . . . 0.0 113.824 172.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -154.49 -24.93 0.12 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -166.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 5.7 p -117.9 45.14 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -172.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.724 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.9 26.61 1.77 Allowed 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -172.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -15.67 0.35 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.13 -31.14 5.12 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.829 -176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.427 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.02 12.79 65.36 Favored Glycine 0 C--O 1.218 -0.899 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.35 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.628 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 6.3 mm-40 -162.45 169.18 20.82 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' A' ' 24' ' ' THR . 25.8 mt -135.46 122.79 35.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 56.48 44.29 24.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.108 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.92 5.34 39.06 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.382 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -120.77 141.4 32.36 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 114.366 -0.917 . . . . 0.0 111.343 -169.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.628 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -57.01 128.33 29.45 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.778 2.318 . . . . 0.0 111.744 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.513 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 44.3 t -80.45 139.09 51.48 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.074 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.0 Cg_exo -31.39 -58.05 0.21 Allowed 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 125.838 4.359 . . . . 0.0 115.964 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.01 -5.75 6.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.759 -165.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.3 p -129.17 87.11 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -73.58 52.61 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 0.0 112.051 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 99.79 52.72 1.17 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.916 174.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HD3' ' O ' ' B' ' 49' ' ' LYS . 28.2 mtmm -127.99 -41.53 1.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 117.136 0.468 . . . . 0.0 109.853 175.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.724 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.37 -38.6 3.18 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.2 167.39 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.21 0.528 . . . . 0.0 111.649 -175.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.5 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.6 pt -127.41 160.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.836 172.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 HD22 ' A' ' 44' ' ' LEU . 4.5 mp -86.94 165.08 16.15 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.355 0.598 . . . . 0.0 112.383 -172.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.1 p -105.2 174.44 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.52 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.48 0.582 . . . . 0.0 111.958 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.33 -44.58 95.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.694 0.283 . . . . 0.0 110.803 175.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.52 -29.93 73.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.0 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.506 ' HA ' HD22 ' A' ' 44' ' ' LEU . 12.2 m-85 -68.82 -35.08 76.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.605 0.24 . . . . 0.0 111.094 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 m -70.26 -31.85 69.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.376 0.608 . . . . 0.0 110.325 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.6 mp -87.06 -13.04 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.098 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.663 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -90.65 -43.3 10.25 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.038 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.61 -19.14 62.16 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.505 -0.747 . . . . 0.0 109.79 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.7 t80 -75.13 -43.76 50.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.362 173.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.687 ' O ' HD21 ' A' ' 51' ' ' LEU . 1.5 pp -80.47 -22.34 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 118.724 -1.19 . . . . 0.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.663 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.1 mm-40 -57.84 -60.35 3.84 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 166.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.628 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 28.9 ttmt -77.3 -0.69 26.44 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.512 -166.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -118.49 -2.25 11.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 118.37 -1.332 . . . . 0.0 113.912 166.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 47' ' ' ILE . 2.6 mm? -125.01 -55.27 1.59 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.34 0.518 . . . . 0.0 111.243 174.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.47 -12.43 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -167.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.628 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 2.3 mtmm . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 122.301 1.048 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -139.44 131.63 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.338 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.55 148.81 44.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.095 0.474 . . . . 0.0 110.191 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -62.85 -17.94 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.385 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.01 -4.57 57.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -103.69 -15.53 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.415 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -112.58 -15.71 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -133.9 135.29 43.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.211 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.23 142.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' CB ' ' B' ' 16' ' ' GLU . . . -64.05 134.22 54.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.004 0.43 . . . . 0.0 110.371 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.636 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.94 165.57 4.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -170.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.636 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 61.9 Cg_exo -44.88 -35.21 9.58 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.171 2.581 . . . . 0.0 114.169 174.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -154.72 -25.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -165.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 20.5 p -117.31 44.62 2.07 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -171.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.98 26.18 2.2 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -170.304 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -13.54 0.43 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.3 -34.15 3.92 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.879 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.429 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.89 10.99 59.43 Favored Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.735 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.585 ' OE1' ' HA ' ' B' ' 25' ' ' PRO . 6.5 mm-40 -163.69 170.49 16.97 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -172.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.517 ' O ' ' HB ' ' B' ' 24' ' ' THR . 27.0 mt -137.52 122.69 24.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -174.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 57.93 43.2 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.739 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.57 5.33 29.54 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.517 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.08 140.21 29.54 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 114.182 -1.009 . . . . 0.0 110.967 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . 0.585 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 18.3 Cg_endo -56.51 127.26 25.2 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.935 2.423 . . . . 0.0 112.394 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 53.2 t -80.94 137.89 49.95 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.46 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 69.7 Cg_exo -31.29 -56.66 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 125.916 4.411 . . . . 0.0 116.313 -178.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.52 -6.3 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.5 . . . . 0.0 111.83 -166.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.1 p -129.97 86.68 2.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -74.3 54.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.154 0.502 . . . . 0.0 111.946 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 100.3 50.32 1.34 Allowed Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.179 173.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' C' ' 49' ' ' LYS . 28.8 mtmm -125.97 -39.82 2.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.425 0.613 . . . . 0.0 110.044 175.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.726 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.33 -38.81 3.12 Favored Glycine 0 N--CA 1.437 -1.273 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' B' ' 11' ' ' ALA . 35.0 m -115.0 167.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.058 0.456 . . . . 0.0 111.705 -175.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.3 pt -127.3 160.49 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.718 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.421 HD21 HD22 ' B' ' 44' ' ' LEU . 4.6 mp -86.84 165.5 15.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.508 0.67 . . . . 0.0 112.543 -172.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.6 p -105.29 174.33 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.31 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.02 74.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.505 0.593 . . . . 0.0 111.791 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.21 -43.92 95.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 174.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.22 -30.22 71.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.964 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.526 ' HA ' HD22 ' B' ' 44' ' ' LEU . 12.9 m-85 -68.9 -34.2 75.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.571 0.224 . . . . 0.0 111.114 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -70.79 -31.88 68.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.397 0.617 . . . . 0.0 110.335 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.554 ' O ' HG13 ' B' ' 47' ' ' ILE . 4.7 mp -86.92 -13.62 44.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.09 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.61 ' O ' HD12 ' B' ' 47' ' ' ILE . 0.3 OUTLIER -90.28 -43.39 10.4 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 120.644 -0.423 . . . . 0.0 109.957 -177.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.73 -18.73 62.12 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.418 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 64.7 t80 -75.29 -44.0 48.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.449 172.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.677 ' O ' HD21 ' B' ' 51' ' ' LEU . 1.6 pp -80.46 -22.57 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.104 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -57.28 -60.98 2.81 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.65 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 28.3 ttmt -77.45 -0.28 25.38 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.479 -166.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -118.08 -1.91 11.33 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 118.538 -1.265 . . . . 0.0 114.023 165.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.677 HD21 ' O ' ' B' ' 47' ' ' ILE . 2.6 mm? -125.6 -56.05 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.402 0.546 . . . . 0.0 111.117 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -109.7 -11.33 14.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -167.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.65 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 2.5 mtmm . . . . . 0 C--O 1.246 0.918 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 122.281 1.039 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.03 131.94 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.408 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.77 149.15 44.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.166 0.508 . . . . 0.0 110.389 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -62.48 -17.9 60.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.402 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.67 -5.36 58.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -103.15 -15.83 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.52 -16.58 12.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.053 0.454 . . . . 0.0 110.813 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -133.25 134.09 43.52 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.368 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.15 142.45 43.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' C' ' 16' ' ' GLU . . . -64.07 133.96 54.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.034 0.445 . . . . 0.0 110.375 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.617 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -58.9 166.89 2.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -170.687 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.617 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 76.0 Cg_exo -47.37 -33.61 17.2 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.051 2.501 . . . . 0.0 114.021 173.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -154.84 -25.26 0.12 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -166.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 6.7 p -117.55 45.42 1.93 Allowed 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.718 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.07 27.02 1.7 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.139 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.9 -15.37 0.36 Allowed 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.99 -33.92 4.58 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.871 -177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.26 10.52 60.79 Favored Glycine 0 C--O 1.217 -0.953 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.518 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.595 ' OE1' ' HA ' ' C' ' 25' ' ' PRO . 6.6 mm-40 -162.83 169.49 19.76 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.538 ' O ' ' HB ' ' C' ' 24' ' ' THR . 21.2 mt -136.78 123.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 120.747 0.308 . . . . 0.0 110.394 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 55.62 46.46 22.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.975 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.93 11.25 50.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.122 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.538 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.6 m -126.87 139.74 35.78 Favored Pre-proline 0 C--N 1.303 -1.417 0 CA-C-N 114.066 -1.067 . . . . 0.0 111.494 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . 0.595 ' HA ' ' OE1' ' C' ' 20' ' ' GLU . 19.1 Cg_endo -56.98 126.43 22.19 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.958 2.438 . . . . 0.0 111.846 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 54.0 t -79.99 139.06 53.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.475 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 70.0 Cg_exo -30.79 -58.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 1 C-N-CA 125.996 4.464 . . . . 0.0 116.137 -179.443 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.6 -6.55 6.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.199 0.524 . . . . 0.0 111.696 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.2 p -128.99 85.54 2.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -74.1 54.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.091 0.472 . . . . 0.0 111.758 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.45 52.76 1.19 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.797 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 49' ' ' LYS . 29.7 mtmm -128.19 -41.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.286 0.543 . . . . 0.0 109.924 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.718 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.52 -38.83 3.08 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -176.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' C' ' 11' ' ' ALA . 35.5 m -114.91 167.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.034 0.445 . . . . 0.0 111.583 -175.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 pt -127.44 160.12 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.811 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.439 HD21 HD22 ' C' ' 44' ' ' LEU . 4.5 mp -86.73 165.13 16.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.301 0.572 . . . . 0.0 112.216 -172.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -105.2 175.67 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.599 0.636 . . . . 0.0 111.793 -176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.77 -43.51 97.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.628 0.252 . . . . 0.0 110.734 174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.23 72.02 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.906 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.52 ' HA ' HD22 ' C' ' 44' ' ' LEU . 13.7 m-85 -68.89 -34.92 76.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.501 0.191 . . . . 0.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -70.24 -31.54 68.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 0.0 110.248 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.576 ' O ' HG13 ' C' ' 47' ' ' ILE . 4.5 mp -87.17 -12.82 45.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.029 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.65 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.3 OUTLIER -91.18 -43.05 10.1 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.046 -177.055 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.56 -19.27 62.18 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.526 -0.734 . . . . 0.0 109.718 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.402 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 65.0 t80 -75.18 -43.77 50.28 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.324 173.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.672 ' O ' HD21 ' C' ' 51' ' ' LEU . 1.5 pp -80.32 -22.44 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.158 -178.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 75.2 mm-40 -57.5 -61.06 2.77 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 166.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.621 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.3 ttmt -77.47 -0.3 25.52 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.485 -166.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -118.13 -1.75 11.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 118.658 -1.217 . . . . 0.0 113.82 166.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.672 HD21 ' O ' ' C' ' 47' ' ' ILE . 2.6 mm? -125.49 -57.95 1.45 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.325 0.511 . . . . 0.0 110.817 174.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -108.1 -12.09 15.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -167.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.621 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 1.8 mtmm . . . . . 0 C--O 1.246 0.875 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 CA--C 1.531 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -123.73 138.76 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 -175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.15 160.49 23.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.504 173.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -66.47 -13.1 60.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.083 0.468 . . . . 0.0 110.763 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.67 -4.12 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.97 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -101.62 -7.36 22.78 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 110.646 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -114.71 -20.26 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.456 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -146.16 143.71 29.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.04 148.98 31.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.013 -174.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.54 131.07 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.153 0.502 . . . . 0.0 111.15 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.811 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 t -67.51 156.94 87.45 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.811 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 44.4 Cg_exo -36.65 -37.77 0.31 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 123.747 2.965 . . . . 0.0 115.101 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -144.05 -30.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 26.5 p -117.97 44.22 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -165.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.06 24.77 2.69 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.333 -177.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.78 -7.56 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -173.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.26 -40.21 0.82 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.967 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.77 15.47 56.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.643 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -152.83 162.52 41.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.399 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.539 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.8 mt -140.29 121.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 58.19 43.17 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.867 0.73 . . . . 0.0 111.027 -174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.2 11.58 9.66 Favored Glycine 0 CA--C 1.504 -0.601 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.809 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.72 144.93 36.5 Favored Pre-proline 0 C--N 1.305 -1.34 0 CA-C-N 114.978 -0.611 . . . . 0.0 111.199 -170.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.45 126.33 22.14 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.981 2.454 . . . . 0.0 111.122 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.581 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 35.1 t -82.03 140.44 46.36 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.711 -166.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.581 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 78.5 Cg_exo -30.31 -58.23 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.22 1 C-N-CA 125.997 4.464 . . . . 0.0 116.145 -177.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.74 -4.69 7.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.668 -168.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 13.8 p -132.35 95.25 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -77.51 53.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.029 0.442 . . . . 0.0 111.456 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.06 41.77 3.69 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.273 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -111.36 -43.12 3.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.38 0.61 . . . . 0.0 109.401 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.67 -38.71 2.92 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -174.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.47 163.8 11.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 0.0 112.094 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 pt -123.51 161.1 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.062 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 HD21 HD23 ' A' ' 44' ' ' LEU . 3.7 mp -88.02 158.2 18.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.523 0.677 . . . . 0.0 112.386 -173.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -106.6 175.67 5.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.499 -1.228 . . . . 0.0 107.889 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.65 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -57.81 -43.55 85.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.12 0.486 . . . . 0.0 110.507 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.25 -29.33 73.19 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.934 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.534 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -70.01 -33.31 71.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.537 0.208 . . . . 0.0 111.188 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -70.63 -32.06 69.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.692 175.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 47' ' ' ILE . 5.0 mp -86.08 -15.8 40.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.023 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -83.39 -41.6 17.97 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.997 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.12 -25.33 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.524 . . . . 0.0 110.705 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 68.9 t80 -74.81 -40.66 60.96 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.953 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.485 HG21 ' O ' ' A' ' 43' ' ' LEU . 19.2 pt -80.09 -27.38 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.773 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.8 mm-40 -55.3 -60.24 3.67 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.651 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 11.2 ttpp -78.88 2.02 21.51 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.594 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.409 ' CE1' HD22 ' C' ' 36' ' ' LEU . 70.8 m-70 -116.88 -2.13 11.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 117.842 -1.543 . . . . 0.0 114.569 164.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 47' ' ' ILE . 3.4 mm? -122.19 -50.63 2.01 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.562 0.619 . . . . 0.0 111.11 174.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.567 -168.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.7 mtmt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.393 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 121.006 0.431 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -123.7 139.18 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 159.8 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -64.0 -14.88 57.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.153 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -83.51 -4.15 58.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -101.88 -4.39 26.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.99 0.424 . . . . 0.0 110.587 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.414 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 94.4 mt -116.88 -20.6 9.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.147 0.499 . . . . 0.0 110.24 177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -145.88 145.74 30.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.52 149.53 29.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -63.05 130.53 45.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.248 0.547 . . . . 0.0 111.283 -176.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.85 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 38.8 t -65.84 157.04 81.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.084 0.954 . . . . 0.0 112.427 -169.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.85 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -37.24 -39.41 0.57 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.586 2.857 . . . . 0.0 114.831 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -142.6 -29.92 0.55 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -166.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 17.3 p -116.97 46.08 1.74 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -168.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 24.84 2.47 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 120.903 0.383 . . . . 0.0 109.995 -177.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.59 -14.37 0.44 Allowed 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -171.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.01 -41.66 1.78 Allowed 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.302 -0.863 . . . . 0.0 113.205 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.0 15.15 55.01 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.671 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.3 pt-20 -153.57 164.83 37.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.053 0.454 . . . . 0.0 110.258 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.55 ' O ' ' HB ' ' B' ' 24' ' ' THR . 21.9 mt -143.41 121.17 6.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 57.45 43.7 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.935 0.772 . . . . 0.0 110.619 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 12.84 8.93 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.692 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.98 143.1 36.05 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.677 -0.762 . . . . 0.0 110.803 -167.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.46 121.44 9.94 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.147 2.565 . . . . 0.0 111.598 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.444 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 53.8 t -76.58 139.38 67.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.19 -0.913 . . . . 0.0 113.191 -168.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.444 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 71.4 Cg_exo -28.62 -59.41 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 126.155 4.57 . . . . 0.0 116.266 -178.469 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.02 -9.37 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.363 0.602 . . . . 0.0 111.661 -167.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 28.7 p -131.02 96.08 3.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.3 t -79.65 53.85 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 111.219 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.68 3.05 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.843 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' B' ' 34' ' ' VAL . 46.7 mtmt -113.68 -44.06 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.07 -39.03 2.79 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -173.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 28.7 m -113.94 163.43 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 112.076 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.6 pt -123.75 160.42 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.809 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.473 HD21 HD23 ' B' ' 44' ' ' LEU . 3.7 mp -87.58 157.87 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.543 0.687 . . . . 0.0 112.527 -173.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -107.06 173.51 6.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.038 170.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.87 70.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -58.84 -43.71 90.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 110.667 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.06 -29.1 73.26 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.531 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -70.37 -33.03 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.78 -0.247 . . . . 0.0 111.37 177.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -70.5 -31.64 68.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.245 0.545 . . . . 0.0 110.726 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.476 ' O ' HG21 ' B' ' 47' ' ' ILE . 4.9 mp -86.08 -17.87 33.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 -176.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.632 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -82.07 -40.88 21.34 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.136 178.7 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.03 -25.59 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.311 0.576 . . . . 0.0 110.69 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -74.81 -41.11 60.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.476 HG21 ' O ' ' B' ' 43' ' ' LEU . 18.9 pt -79.99 -27.3 12.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.747 -177.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.6 mm-40 -55.16 -60.43 3.39 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 166.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.647 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 11.9 ttpp -78.97 1.74 22.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.666 -166.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -116.49 -1.65 12.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.011 -1.475 . . . . 0.0 114.421 164.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.42 HD21 ' O ' ' B' ' 47' ' ' ILE . 3.4 mm? -122.59 -52.91 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.625 0.648 . . . . 0.0 110.979 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' B' ' 52' ' ' ASN . 0.2 OUTLIER -110.42 -18.24 13.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.573 -168.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.647 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.6 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.403 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.39 138.92 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.35 160.63 23.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -65.57 -13.94 60.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.014 0.435 . . . . 0.0 111.063 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.34 -4.25 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.826 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -103.05 -3.29 26.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.0 mt -117.06 -20.44 9.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 0.0 110.259 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -145.71 145.83 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.425 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -134.27 148.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.201 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.481 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -63.42 130.71 45.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 0.0 111.173 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.899 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 12.4 t -67.82 157.42 86.57 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.899 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.5 Cg_exo -36.2 -39.92 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.824 3.016 . . . . 0.0 114.646 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -142.79 -28.74 0.57 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 4.8 p -115.74 43.84 2.02 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.481 ' HG2' ' HB3' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.8 24.17 2.83 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.002 0.43 . . . . 0.0 110.374 -177.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 -11.98 0.45 Allowed 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.48 -40.26 1.43 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.381 -0.827 . . . . 0.0 113.157 -172.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.95 57.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.422 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.7 pt-20 -152.27 165.58 34.45 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.11 -177.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB ' ' C' ' 24' ' ' THR . 16.4 mt -143.77 122.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 173.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 58.13 42.95 21.42 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.889 0.743 . . . . 0.0 110.79 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.55 15.81 9.41 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.632 -176.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -122.52 144.18 41.6 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.26 -169.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.26 122.04 11.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.23 2.62 . . . . 0.0 111.484 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.567 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 43.9 t -80.49 139.17 51.38 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.974 -167.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.567 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 84.3 Cg_exo -28.73 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.076 1 C-N-CA 126.157 4.572 . . . . 0.0 116.449 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.75 -7.27 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.372 0.606 . . . . 0.0 111.671 -168.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 14.4 p -131.01 94.44 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 27.2 t -77.78 54.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.34 45.3 3.04 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.954 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' C' ' 34' ' ' VAL . 49.1 mtmt -113.47 -44.87 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.54 -38.86 2.81 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -173.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.408 ' O ' ' HE3' ' C' ' 32' ' ' LYS . 27.7 m -114.14 163.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 0.0 112.069 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.6 160.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.912 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.479 HD21 HD23 ' C' ' 44' ' ' LEU . 3.7 mp -87.69 158.04 18.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.586 0.708 . . . . 0.0 112.493 -173.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.8 173.73 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.104 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.66 70.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -57.14 -46.1 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.727 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -28.44 73.75 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.224 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.528 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -70.09 -33.47 71.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.752 -0.263 . . . . 0.0 111.092 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -70.22 -31.54 69.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.213 0.53 . . . . 0.0 110.853 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.45 ' O ' HG21 ' C' ' 47' ' ' ILE . 4.9 mp -86.03 -17.45 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 -177.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.613 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.29 -40.78 21.02 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.123 178.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.35 -25.48 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 0.0 110.799 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 69.3 t80 -74.76 -41.0 60.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.026 176.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.471 HG23 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.86 -27.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.803 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.1 -60.34 3.52 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 166.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.645 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 11.6 ttpp -79.18 1.89 22.93 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.629 -166.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -116.62 -2.39 11.96 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.844 -1.542 . . . . 0.0 114.428 164.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.41 HD21 ' O ' ' C' ' 47' ' ' ILE . 3.4 mm? -122.11 -51.5 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.479 0.657 . . . . 0.0 111.022 174.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.44 -18.83 12.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.67 -168.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.645 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.0 mtmt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.826 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.481 0.658 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.85 136.83 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.38 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.6 172.49 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 175.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 m -62.26 -24.95 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.265 0.555 . . . . 0.0 110.733 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.25 -3.67 55.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.444 -172.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.69 0.1 35.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 110.589 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 87.5 mt -125.2 -28.74 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' CD ' ' HE2' ' B' ' 50' ' ' HIS . 38.3 mt-10 -142.96 147.24 34.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.306 -177.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -127.57 140.15 49.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.571 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HA ' HG11 ' A' ' 34' ' ' VAL . . . -65.23 137.48 57.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 111.164 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -59.46 169.72 1.25 Allowed Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -48.34 -37.6 32.62 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.985 2.457 . . . . 0.0 113.75 173.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -161.41 -13.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -167.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 23.0 p -117.16 43.31 2.34 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 119.051 0.841 . . . . 0.0 112.965 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.637 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -92.3 29.23 1.72 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.158 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.46 -18.52 0.33 Allowed 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -174.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.73 -29.42 1.51 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.489 -175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 80.86 26.43 53.52 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 120.599 -0.81 . . . . 0.0 114.273 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 5.7 pt-20 -138.54 159.89 40.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.564 0.697 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' A' ' 24' ' ' THR . 47.9 mm -127.31 109.17 19.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.186 169.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 61.76 46.72 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.422 0.451 . . . . 0.0 111.372 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.58 -1.47 14.47 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.496 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.9 m -118.62 147.47 42.14 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 115.267 -0.466 . . . . 0.0 111.738 -168.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -55.15 125.43 19.15 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.295 2.664 . . . . 0.0 112.254 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 52.0 t -74.15 137.98 75.59 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -171.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -29.95 -54.26 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 126.327 4.685 . . . . 0.0 116.212 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.77 -9.64 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.748 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 26.8 p -132.05 98.79 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.786 0.326 . . . . 0.0 110.149 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.76 58.57 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.152 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.446 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 90.94 45.58 4.15 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.412 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -123.5 -39.96 2.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -171.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.637 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.21 -40.01 2.69 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.472 HG11 ' HA ' ' A' ' 11' ' ' ALA . 35.6 m -123.49 167.88 16.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 122.332 -0.511 . . . . 0.0 112.053 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.4 pt -130.61 163.95 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.357 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD22 HD22 ' A' ' 44' ' ' LEU . 3.6 mp -87.95 159.29 18.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -172.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -106.74 176.8 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.046 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.34 -46.53 69.55 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -57.73 -44.12 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.56 -29.7 72.93 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.845 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.529 ' HA ' HD22 ' A' ' 44' ' ' LEU . 13.4 m-85 -68.87 -33.12 73.27 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.856 -0.202 . . . . 0.0 111.201 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 m -71.94 -33.5 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.398 0.618 . . . . 0.0 110.486 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.46 -17.3 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.792 -174.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.529 HD22 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.39 -45.44 16.1 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.98 -20.46 61.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 110.541 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.186 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.566 ' O ' HD13 ' B' ' 51' ' ' LEU . 2.7 pp -78.24 -27.13 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.239 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.492 ' HA ' HD21 ' B' ' 51' ' ' LEU . 39.3 mm-40 -52.28 -59.92 3.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.765 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 18.1 ttmm -79.36 1.96 23.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.375 -166.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.731 ' O ' HD22 ' A' ' 51' ' ' LEU . 78.6 m-70 -115.49 -3.77 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 116.131 -2.228 . . . . 0.0 114.917 169.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 50' ' ' HIS . 20.7 mt -126.69 -37.21 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.073 0.851 . . . . 0.0 111.77 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -105.89 -33.46 7.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.366 0.603 . . . . 0.0 111.208 -172.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.765 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.0 mtmt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.765 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 121.421 0.629 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -134.92 137.22 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.273 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.18 171.43 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -60.67 -23.34 64.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 111.107 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.91 -5.8 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -172.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.01 1.07 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 110.842 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.03 -27.76 3.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.125 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.428 ' CD ' ' HE2' ' C' ' 50' ' ' HIS . 39.5 mt-10 -142.79 148.86 37.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -177.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.31 140.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.511 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.475 ' HA ' HG11 ' B' ' 34' ' ' VAL . . . -65.56 137.22 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.252 0.548 . . . . 0.0 111.213 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.637 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.02 169.72 1.06 Allowed Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -173.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.637 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 70.4 Cg_exo -48.13 -36.87 29.69 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.228 2.619 . . . . 0.0 114.243 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.489 ' HB2' ' HZ2' ' B' ' 14' ' ' LYS . 0.1 OUTLIER -162.4 -13.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -167.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 18.2 p -117.19 44.06 2.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.831 1.196 . . . . 0.0 113.211 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.645 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -91.46 28.79 1.61 Allowed 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -177.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.03 -18.45 0.35 Allowed 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.68 -27.51 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.064 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.455 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 80.65 24.57 58.22 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.34 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.2 pt-20 -137.73 160.34 39.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.369 0.604 . . . . 0.0 110.49 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.489 ' O ' ' HB ' ' B' ' 24' ' ' THR . 46.5 mm -128.21 110.44 21.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 114.635 -1.166 . . . . 0.0 108.227 170.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 61.16 45.28 9.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.522 0.514 . . . . 0.0 111.197 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.7 0.13 23.43 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.891 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.7 m -120.51 146.21 42.57 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-N 114.913 -0.644 . . . . 0.0 110.752 -167.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.47 126.38 22.1 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.801 2.334 . . . . 0.0 112.599 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.1 t -74.41 136.34 75.18 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.252 -172.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -29.74 -53.04 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.061 1 C-N-CA 126.593 4.862 . . . . 0.0 116.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.26 -8.59 7.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.75 -167.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 30.4 p -133.39 98.35 4.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.163 0.506 . . . . 0.0 110.023 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -77.55 58.35 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.092 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.455 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 90.2 48.27 3.6 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.09 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -125.81 -39.98 2.08 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -172.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.645 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.1 -40.49 2.53 Favored Glycine 0 N--CA 1.431 -1.661 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' B' ' 11' ' ' ALA . 35.6 m -123.25 168.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.176 0.513 . . . . 0.0 112.109 -174.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 pt -131.46 163.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.273 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.468 HD22 HD22 ' B' ' 44' ' ' LEU . 3.6 mp -87.63 159.54 18.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.73 176.87 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.121 169.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.57 69.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.57 -44.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.568 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.416 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -68.16 -29.4 73.32 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.908 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.538 ' HA ' HD22 ' B' ' 44' ' ' LEU . 12.6 m-85 -68.85 -33.6 74.09 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.802 -0.234 . . . . 0.0 111.112 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -71.57 -33.38 69.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.452 0.644 . . . . 0.0 110.578 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.44 -16.87 35.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.803 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -81.74 -44.98 16.31 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.211 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.25 -22.0 61.3 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 110.502 -175.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.413 ' HZ ' ' O ' ' A' ' 40' ' ' GLY . 64.3 t80 -74.08 -43.59 57.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.128 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.55 ' O ' HD13 ' C' ' 51' ' ' LEU . 2.7 pp -78.45 -26.76 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.252 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.454 ' HA ' HD21 ' C' ' 51' ' ' LEU . 40.3 mm-40 -52.66 -59.85 3.97 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 166.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.774 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 17.1 ttmm -79.34 1.72 24.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.349 -166.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.738 ' O ' HD22 ' B' ' 51' ' ' LEU . 77.7 m-70 -115.52 -3.11 12.39 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 115.993 -2.283 . . . . 0.0 115.225 169.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.738 HD22 ' O ' ' B' ' 50' ' ' HIS . 21.6 mt -127.35 -36.57 2.1 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.054 0.843 . . . . 0.0 111.831 168.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.05 -33.51 7.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.164 0.507 . . . . 0.0 111.185 -172.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.774 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.423 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.05 136.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.271 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.28 170.7 9.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.456 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.8 m -59.06 -24.0 62.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.099 0.476 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.65 -6.03 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -172.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.29 -0.31 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.705 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.28 -28.36 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.293 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . 0.434 ' CD ' ' HE2' ' A' ' 50' ' ' HIS . 39.1 mt-10 -142.89 147.72 35.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.237 0.541 . . . . 0.0 110.384 -177.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.91 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.473 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.492 ' HA ' HG11 ' C' ' 34' ' ' VAL . . . -65.18 137.77 57.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.076 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.88 168.54 1.42 Allowed Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -47.37 -38.12 26.22 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.201 2.6 . . . . 0.0 113.723 173.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . 0.521 ' HB2' ' HZ2' ' C' ' 14' ' ' LYS . 0.1 OUTLIER -161.89 -10.96 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.772 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.608 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 17.7 p -114.92 41.13 2.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 118.388 -1.325 . . . . 0.0 114.041 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.641 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.08 28.78 1.52 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -176.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.7 -19.59 0.37 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -176.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.81 -27.22 1.91 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.309 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . 0.444 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 79.67 25.8 57.77 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.41 -0.9 . . . . 0.0 114.034 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.8 pt-20 -137.86 161.49 36.48 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.449 0.643 . . . . 0.0 110.645 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB ' ' C' ' 24' ' ' THR . 47.9 mm -129.03 110.29 20.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.222 169.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.44 46.85 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.622 0.576 . . . . 0.0 111.411 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.26 1.26 26.71 Favored Glycine 0 CA--C 1.51 -0.241 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.553 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 2.0 m -121.86 146.82 46.98 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.596 -0.802 . . . . 0.0 111.158 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -54.77 130.82 42.52 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.807 2.338 . . . . 0.0 111.77 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.6 t -79.86 138.47 53.79 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.373 -171.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 63.7 Cg_exo -29.74 -53.54 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.193 1 C-N-CA 125.748 4.299 . . . . 0.0 116.114 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.73 -8.08 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.684 -167.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.608 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 19.9 p -132.14 94.77 3.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -77.42 57.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.939 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . 0.444 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 90.21 51.44 2.77 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -127.45 -41.17 1.74 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -173.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.641 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.49 -40.1 2.64 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.492 HG11 ' HA ' ' C' ' 11' ' ' ALA . 35.7 m -123.97 168.78 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.129 0.49 . . . . 0.0 112.253 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.59 164.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.403 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.47 HD22 HD22 ' C' ' 44' ' ' LEU . 3.6 mp -88.0 160.05 18.04 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.93 176.43 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.115 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.61 -47.15 67.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -57.29 -44.28 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 -29.54 72.62 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.928 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.523 ' HA ' HD22 ' C' ' 44' ' ' LEU . 13.8 m-85 -68.96 -33.22 73.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.839 -0.212 . . . . 0.0 111.11 177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 16.6 m -71.99 -33.35 68.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.445 0.64 . . . . 0.0 110.642 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.24 -17.02 35.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.774 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -81.67 -45.33 15.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.199 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.01 -20.58 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.574 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.416 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 64.4 t80 -74.37 -43.66 55.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.126 173.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.571 ' O ' HD13 ' A' ' 51' ' ' LEU . 2.7 pp -78.31 -26.86 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.321 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.454 ' HA ' HD21 ' A' ' 51' ' ' LEU . 40.7 mm-40 -52.71 -59.62 4.25 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 166.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.761 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 17.5 ttmm -79.4 1.63 24.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.492 -166.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . 0.748 ' O ' HD22 ' C' ' 51' ' ' LEU . 79.1 m-70 -115.42 -3.06 12.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 115.995 -2.282 . . . . 0.0 114.911 169.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.748 HD22 ' O ' ' C' ' 50' ' ' HIS . 21.9 mt -127.37 -37.5 2.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.085 0.857 . . . . 0.0 111.814 168.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -106.17 -31.21 8.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.181 0.515 . . . . 0.0 111.462 -171.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.761 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 10.6 mtmt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.998 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 121.684 0.754 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -143.19 140.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.731 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.07 165.44 14.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -67.15 -13.53 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.502 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.58 -5.55 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.428 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -101.6 4.11 40.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.23 0.538 . . . . 0.0 109.999 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 96.0 mt -125.98 -30.9 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.846 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -149.0 153.04 37.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.686 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.05 148.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.06 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.8 131.69 47.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.932 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.8 t -60.19 161.3 13.48 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.342 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.932 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 67.6 Cg_exo -44.03 -36.41 8.45 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.063 2.509 . . . . 0.0 114.271 172.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -147.19 -36.76 0.22 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -163.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.603 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 p -113.73 46.55 1.28 Allowed 'General case' 0 C--O 1.249 1.036 0 C-N-CA 117.828 -1.549 . . . . 0.0 114.209 -169.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -88.72 27.63 1.28 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -147.84 -28.64 0.34 Allowed 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -164.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.45 -37.17 3.55 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.476 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.471 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 92.3 19.51 38.54 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.946 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -170.42 171.17 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.1 mt -140.03 124.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 49.75 47.88 22.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.122 0.889 . . . . 0.0 111.23 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.51 6.84 51.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.686 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 151.3 65.12 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.19 129.12 32.6 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 123.17 2.58 . . . . 0.0 111.599 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.491 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 39.2 t -86.21 141.49 35.03 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.509 -170.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.491 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 72.0 Cg_exo -26.39 -59.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.056 1 C-N-CA 126.47 4.78 . . . . 0.0 116.385 -177.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.71 -2.29 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.48 0.657 . . . . 0.0 111.615 -167.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.603 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.2 p -131.08 88.33 2.59 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -76.14 57.66 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.291 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 93.43 41.14 4.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.504 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -117.58 -43.73 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.627 0.727 . . . . 0.0 109.431 -177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.36 -39.4 2.9 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -113.13 164.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 112.09 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.6 pt -123.66 158.14 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.901 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD23 ' NE2' ' B' ' 50' ' ' HIS . 1.5 mt -86.57 150.6 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.95 172.73 6.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.469 -1.241 . . . . 0.0 108.196 168.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.65 66.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.98 -44.49 91.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.28 -29.72 73.3 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.45 ' HA ' HD21 ' A' ' 44' ' ' LEU . 13.9 m-85 -68.85 -36.21 77.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.419 0.152 . . . . 0.0 111.129 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 m -69.98 -34.03 72.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.274 0.559 . . . . 0.0 111.251 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.6 mp -86.02 -15.96 39.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.984 -175.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -83.91 -39.48 19.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.255 -179.48 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.33 -27.28 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.792 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 74.8 t80 -75.49 -37.58 60.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.672 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 43' ' ' LEU . 25.7 pt -78.27 -35.34 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 18.7 mm-40 -50.72 -60.75 2.73 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.337 0.589 . . . . 0.0 109.567 171.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.643 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 25.5 ttpt -77.14 1.34 18.55 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.048 -166.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.718 ' O ' HD21 ' A' ' 51' ' ' LEU . 72.1 m-70 -115.11 -9.0 12.38 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 117.372 -1.731 . . . . 0.0 114.803 166.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 50' ' ' HIS . 33.9 mt -132.95 -24.05 1.94 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.706 1.139 . . . . 0.0 113.096 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.7 -22.09 3.96 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.046 0.45 . . . . 0.0 111.923 -174.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.643 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.74 0.781 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.89 139.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.592 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.86 166.13 13.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -67.11 -12.88 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.508 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 -6.46 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.28 3.56 40.89 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.088 0.47 . . . . 0.0 110.337 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.1 mt -125.13 -31.16 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.732 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -149.15 153.39 37.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.702 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.69 147.57 28.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.238 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' B' ' 16' ' ' GLU . . . -64.84 134.91 55.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 111.075 -177.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.661 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -64.06 163.06 25.87 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 113.621 -170.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.661 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 68.0 Cg_exo -47.09 -36.08 20.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.354 2.702 . . . . 0.0 114.268 174.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -149.52 -30.87 0.23 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -164.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 26.1 p -116.53 43.36 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -169.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.11 27.18 1.68 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -176.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -148.43 -28.07 0.31 Allowed 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -162.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.23 -36.65 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.127 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.49 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 91.34 21.47 34.92 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.695 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.48 172.25 6.1 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 123.06 0.544 . . . . 0.0 109.556 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . 0.423 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 14.7 mt -141.9 123.71 13.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 48.79 51.27 16.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.623 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.66 13.93 59.62 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.749 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.32 148.06 68.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.785 -172.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.84 129.11 32.83 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.303 2.669 . . . . 0.0 111.753 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 41.4 t -85.7 140.4 35.64 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.863 -169.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.451 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 88.8 Cg_exo -26.57 -58.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 1 C-N-CA 126.428 4.752 . . . . 0.0 116.91 -177.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.35 -2.32 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.388 0.613 . . . . 0.0 111.312 -167.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 28.4 p -130.76 89.74 2.8 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -78.59 57.98 2.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.092 0.472 . . . . 0.0 111.699 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 92.63 41.57 4.71 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.396 176.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -117.01 -43.84 2.84 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.86 -39.61 2.84 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -175.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.73 165.3 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 112.123 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.591 HG23 ' SG ' ' B' ' 12' ' ' CYS . 12.3 pt -123.66 158.07 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.459 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.478 HD23 ' NE2' ' C' ' 50' ' ' HIS . 1.6 mt -86.36 149.53 24.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.152 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -107.22 171.76 7.2 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.421 169.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.44 63.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.28 -45.86 87.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.02 -27.19 73.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.797 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.436 ' HA ' HD21 ' B' ' 44' ' ' LEU . 14.1 m-85 -68.64 -33.88 74.77 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.778 -0.248 . . . . 0.0 110.657 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.302 0.572 . . . . 0.0 110.689 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.604 ' O ' HG23 ' B' ' 47' ' ' ILE . 5.6 mp -85.67 -19.12 31.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.283 -175.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' B' ' 41' ' ' TYR . 1.3 pp -81.62 -38.53 25.85 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.738 -0.601 . . . . 0.0 110.646 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.31 -28.25 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 77.7 t80 -75.17 -37.0 61.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.723 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.604 HG23 ' O ' ' B' ' 43' ' ' LEU . 25.1 pt -78.56 -36.26 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.674 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.508 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 21.1 mm-40 -49.7 -60.99 2.38 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 121.361 0.601 . . . . 0.0 109.714 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.658 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 24.7 ttpt -77.0 1.17 18.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.17 -166.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.754 ' O ' HD21 ' B' ' 51' ' ' LEU . 62.1 m-70 -115.57 -8.14 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 117.373 -1.731 . . . . 0.0 114.781 167.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.754 HD21 ' O ' ' B' ' 50' ' ' HIS . 34.3 mt -133.9 -21.95 1.87 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.719 1.145 . . . . 0.0 113.07 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.94 -24.61 3.45 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.071 0.462 . . . . 0.0 111.797 -175.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.658 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 3.3 mtmm . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 121.743 0.782 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -141.36 139.63 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 168.91 10.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -69.72 -13.18 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.183 0.516 . . . . 0.0 110.478 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.52 -5.77 58.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.303 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -101.66 5.1 41.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.151 0.5 . . . . 0.0 110.077 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 96.0 mt -127.16 -31.44 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -148.85 154.45 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.623 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.34 146.54 28.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.378 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' C' ' 34' ' ' VAL . . . -64.74 134.55 54.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.052 0.453 . . . . 0.0 110.948 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . 0.737 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -65.28 163.89 28.28 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . 0.737 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 63.2 Cg_exo -45.15 -38.14 14.0 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.302 2.668 . . . . 0.0 114.313 173.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -146.66 -31.36 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -165.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 7.2 p -115.87 42.78 2.25 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -167.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.52 26.48 1.98 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.608 0.718 . . . . 0.0 109.184 -177.631 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -148.14 -23.71 0.35 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -163.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.97 -37.93 2.67 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.978 -174.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . 0.536 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 89.69 21.45 40.09 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.375 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.23 172.55 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . 0.432 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 14.5 mt -142.38 124.95 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 48.48 49.85 17.67 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 124.337 1.023 . . . . 0.0 111.028 -173.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.15 13.71 60.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.64 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.01 148.09 68.21 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.73 129.06 32.61 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.199 2.599 . . . . 0.0 111.368 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.7 t -87.12 142.09 33.47 Favored Pre-proline 0 C--N 1.313 -1.005 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.701 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . 0.668 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 79.0 Cg_exo -28.02 -59.02 0.1 Allowed 'Trans proline' 0 C--N 1.364 1.361 1 C-N-CA 126.573 4.849 . . . . 0.0 116.675 -176.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.53 -1.79 6.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.558 0.694 . . . . 0.0 111.365 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 30.5 p -130.25 86.98 2.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.247 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -77.09 57.24 1.36 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.033 0.444 . . . . 0.0 111.867 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 93.88 43.12 3.94 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.679 176.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -119.08 -43.97 2.62 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.442 0.639 . . . . 0.0 109.62 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.84 -39.24 2.94 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -113.39 165.12 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.08 0.467 . . . . 0.0 112.067 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . 0.598 HG23 ' SG ' ' C' ' 12' ' ' CYS . 10.7 pt -123.82 158.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.42 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.486 HD23 ' NE2' ' A' ' 50' ' ' HIS . 1.6 mt -86.88 149.56 24.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.153 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.89 171.68 7.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.25 169.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.95 63.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.62 -47.23 82.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.283 . . . . 0.0 110.983 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -27.8 73.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.85 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.422 ' HA ' HD21 ' C' ' 44' ' ' LEU . 12.9 m-85 -68.91 -34.39 75.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.494 0.188 . . . . 0.0 110.755 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -72.96 -33.13 65.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.401 0.619 . . . . 0.0 110.728 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.617 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.8 mp -85.5 -19.79 30.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.295 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' C' ' 41' ' ' TYR . 1.2 pp -80.37 -38.63 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.449 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.6 -28.0 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 111.012 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 74.1 t80 -75.22 -37.85 60.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.703 177.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.617 HG23 ' O ' ' C' ' 43' ' ' LEU . 25.9 pt -78.22 -34.53 18.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.79 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.508 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 19.8 mm-40 -51.49 -60.51 3.06 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.51 171.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.66 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 24.7 ttpt -77.45 0.89 20.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.705 -1.134 . . . . 0.0 112.249 -165.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . 0.704 ' O ' HD21 ' C' ' 51' ' ' LEU . 67.9 m-70 -115.04 -8.54 12.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 117.38 -1.728 . . . . 0.0 114.634 167.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.704 HD21 ' O ' ' C' ' 50' ' ' HIS . 33.2 mt -132.05 -27.68 1.81 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.597 1.09 . . . . 0.0 112.921 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.67 -22.87 5.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.184 0.516 . . . . 0.0 111.849 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.66 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.315 -0.915 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 121.739 0.781 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -152.56 134.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.559 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.87 162.46 19.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.1 m -58.03 -28.72 64.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.439 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.64 -1.96 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -168.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.06 -21.5 14.44 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.194 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.84 -18.67 11.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.3 . . . . 0.0 111.395 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.442 ' OE2' ' HD2' ' B' ' 49' ' ' LYS . 52.2 mt-10 -130.18 133.44 46.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.284 0.564 . . . . 0.0 109.608 176.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.09 139.93 50.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -65.32 138.24 58.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' A' ' 35' ' ' ILE . 7.6 m -56.69 167.44 1.02 Allowed Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.87 -36.89 54.26 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.024 2.483 . . . . 0.0 112.7 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -146.99 -30.77 0.34 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -166.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 26.3 p -115.42 42.21 2.3 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.5 31.29 1.04 Allowed 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -146.93 -27.66 0.39 Allowed 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -165.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.94 -28.96 1.16 Allowed 'General case' 0 C--N 1.339 0.135 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.277 -172.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.03 24.03 53.6 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.236 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -146.67 159.8 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.786 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mm -124.05 101.86 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 62.74 51.27 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.614 0.571 . . . . 0.0 111.621 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.65 9.06 11.25 Favored Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.622 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.9 145.86 38.83 Favored Pre-proline 0 N--CA 1.437 -1.089 0 CA-C-N 115.633 -0.283 . . . . 0.0 110.583 -174.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 128.62 31.0 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.265 2.643 . . . . 0.0 112.065 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.494 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 52.1 t -84.68 136.12 39.72 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.841 -170.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.1 Cg_exo -28.43 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.086 1 C-N-CA 126.456 4.771 . . . . 0.0 116.83 -176.406 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.93 0.49 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -163.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.1 p -123.8 -13.97 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.172 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m 40.57 38.89 0.65 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.14 43.5 4.06 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 119.933 -1.127 . . . . 0.0 113.406 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 48.6 mtmt -126.13 -36.64 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.379 . . . . 0.0 110.163 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 113.95 -38.81 3.03 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.459 -0.657 . . . . 0.0 111.459 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 11' ' ' ALA . 34.2 m -119.26 167.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 0.0 112.013 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.437 HG23 ' SG ' ' A' ' 12' ' ' CYS . 21.8 pt -130.48 167.75 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.733 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD22 ' CZ ' ' B' ' 46' ' ' PHE . 1.7 mp -87.51 163.95 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.419 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 63.2 p -105.92 177.08 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.111 170.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.02 -44.68 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.595 0.634 . . . . 0.0 111.844 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -58.95 -43.3 91.26 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.765 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.52 76.56 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.893 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD21 ' A' ' 44' ' ' LEU . 10.1 m-85 -70.72 -33.22 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.903 -0.175 . . . . 0.0 111.455 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -69.24 -33.4 73.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.494 0.664 . . . . 0.0 110.225 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -85.78 -16.15 39.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.439 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -81.77 -41.69 20.82 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.183 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.91 -23.13 62.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 110.584 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.523 ' CZ ' HD22 ' C' ' 36' ' ' LEU . 60.5 t80 -75.38 -40.92 57.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.241 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 HG22 HG21 ' B' ' 47' ' ' ILE . 19.0 pt -80.01 -25.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.562 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 85.8 mm-40 -58.41 -59.43 5.37 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 165.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HD2' ' OE2' ' C' ' 9' ' ' GLU . 28.0 ttmt -78.57 -4.37 48.45 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.311 -164.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -117.67 -1.05 11.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 117.741 -1.584 . . . . 0.0 114.09 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD22 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -118.84 -51.23 2.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.414 0.626 . . . . 0.0 111.03 170.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.96 -28.52 9.54 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.51 -166.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 19.9 mtmt . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.075 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.665 0.745 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -152.92 134.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.693 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.01 163.3 18.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.773 0.32 . . . . 0.0 111.198 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -58.53 -29.54 66.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.48 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.31 0.17 42.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -168.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.75 -22.81 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.148 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.17 -18.42 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.468 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' C' ' 49' ' ' LYS . 54.0 mt-10 -130.15 133.23 46.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.408 0.623 . . . . 0.0 109.68 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.55 139.35 51.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.851 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' B' ' 16' ' ' GLU . . . -64.61 137.64 57.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' B' ' 35' ' ' ILE . 15.0 m -55.6 167.85 0.71 Allowed Pre-proline 0 N--CA 1.464 0.233 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -172.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -52.78 -32.45 55.89 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.312 2.675 . . . . 0.0 113.037 171.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -150.82 -30.18 0.19 Allowed 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' B' ' 26' ' ' CYS . 24.1 p -114.86 41.97 2.27 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.479 ' HG2' ' HB2' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.18 31.57 0.99 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -148.17 -28.98 0.32 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -165.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.06 -29.98 1.24 Allowed 'General case' 0 C--N 1.341 0.232 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.73 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 21.56 53.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.063 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.8 pt-20 -145.81 161.12 40.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.916 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -124.98 101.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.63 51.14 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.697 0.623 . . . . 0.0 111.668 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 8.9 10.77 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.729 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.81 146.08 39.24 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.746 -0.227 . . . . 0.0 110.408 -174.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.81 128.35 29.93 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.223 2.615 . . . . 0.0 112.14 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 49.1 t -84.1 134.49 43.48 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.548 -170.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.442 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.2 Cg_exo -27.66 -57.27 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.838 1 C-N-CA 126.383 4.722 . . . . 0.0 117.009 -175.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.04 0.14 5.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 -163.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 25.6 p -124.07 -12.96 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.138 -1.025 . . . . 0.0 112.414 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 40.36 39.06 0.63 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.93 45.55 3.58 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.427 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.489 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 45.6 mtmt -128.16 -36.32 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.819 0.342 . . . . 0.0 110.271 179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.63 -38.71 3.09 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.419 HG13 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -119.75 166.33 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.473 . . . . 0.0 112.131 -175.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.451 HG23 ' SG ' ' B' ' 12' ' ' CYS . 25.7 pt -129.71 168.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.728 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' C' ' 46' ' ' PHE . 1.9 mp -87.25 165.04 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.604 0.716 . . . . 0.0 112.869 -174.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.414 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.4 p -106.22 177.15 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.07 170.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.78 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.485 0.584 . . . . 0.0 111.675 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -58.8 -42.83 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.658 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -30.65 75.99 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.844 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' B' ' 44' ' ' LEU . 9.4 m-85 -70.76 -33.09 70.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.877 -0.19 . . . . 0.0 111.426 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.7 m -69.12 -33.38 73.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.673 . . . . 0.0 110.262 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.84 -16.2 39.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -81.85 -41.79 20.52 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.298 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -71.11 -22.55 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.62 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.55 ' CZ ' HD22 ' A' ' 36' ' ' LEU . 61.3 t80 -75.44 -41.61 55.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.314 174.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.481 HG12 ' HA ' ' B' ' 44' ' ' LEU . 18.5 pt -79.97 -26.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.489 -177.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.4 mm-40 -58.04 -59.4 5.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.297 0.57 . . . . 0.0 109.482 165.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.49 ' HG2' ' HD2' ' A' ' 32' ' ' LYS . 27.4 ttmt -78.08 -4.53 47.8 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.235 -164.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -117.45 -1.04 11.79 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 117.855 -1.538 . . . . 0.0 114.476 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.414 HD22 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -120.07 -47.4 2.38 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.36 0.6 . . . . 0.0 111.41 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.01 -30.11 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.305 -167.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.445 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.722 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.812 0.815 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -153.05 134.46 5.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 161.93 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.4 m -57.22 -29.25 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.637 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -81.99 -0.78 45.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -169.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -101.71 -22.58 14.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.02 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.03 -18.85 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.665 0.269 . . . . 0.0 111.529 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . 0.486 ' OE2' ' HD2' ' A' ' 49' ' ' LYS . 52.9 mt-10 -130.55 132.42 45.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.381 0.61 . . . . 0.0 109.784 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.68 140.38 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -65.24 137.5 57.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.599 -178.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.36 167.58 0.7 Allowed Pre-proline 0 C--N 1.332 -0.169 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -173.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.71 -32.87 57.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.938 2.425 . . . . 0.0 112.925 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -150.49 -30.22 0.2 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -167.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 29.1 p -116.07 44.03 2.02 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 31.46 1.03 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -147.72 -28.59 0.34 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -164.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.04 -28.9 1.32 Allowed 'General case' 0 C--N 1.342 0.248 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.519 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.22 22.95 53.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.128 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 5.4 pt-20 -146.75 160.2 42.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.064 0.459 . . . . 0.0 110.839 -175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -124.36 101.91 9.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 63.21 50.98 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.632 0.582 . . . . 0.0 111.439 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.37 9.17 10.96 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 119.951 -1.119 . . . . 0.0 112.877 -176.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.87 147.31 42.1 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-O 120.562 0.22 . . . . 0.0 110.822 -174.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -55.83 128.09 28.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.149 2.566 . . . . 0.0 111.927 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 44.7 t -83.27 136.12 43.62 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -171.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -28.63 -58.56 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 126.238 4.626 . . . . 0.0 116.628 -177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 1.05 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -164.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.4 p -123.65 -12.65 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.425 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m 38.47 38.82 0.26 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.73 42.69 4.39 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 119.967 -1.111 . . . . 0.0 113.383 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 48.1 mtmt -125.52 -35.36 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.302 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.97 -39.23 2.92 Favored Glycine 0 N--CA 1.435 -1.406 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.64 166.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.971 -175.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 24.9 pt -129.8 168.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.61 175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.523 HD22 ' CZ ' ' A' ' 46' ' ' PHE . 1.8 mp -87.26 164.79 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.784 0.802 . . . . 0.0 112.818 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.5 p -106.22 175.94 5.33 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.105 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.71 -45.15 77.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.437 0.562 . . . . 0.0 111.941 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -58.93 -42.54 90.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.739 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.77 -31.09 77.34 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.807 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' TYR . . . . . 0.531 ' HA ' HD21 ' C' ' 44' ' ' LEU . 9.7 m-85 -70.39 -32.61 70.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.959 -0.142 . . . . 0.0 111.276 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 45.0 m -69.85 -33.76 72.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.421 0.629 . . . . 0.0 110.349 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.46 -17.4 36.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.217 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -80.27 -42.3 23.39 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.799 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.08 -23.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.0 110.739 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' B' ' 36' ' ' LEU . 62.5 t80 -75.39 -41.6 55.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.226 174.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.458 HG22 HG21 ' A' ' 47' ' ' ILE . 19.6 pt -79.9 -25.71 12.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.433 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.2 mm-40 -58.66 -58.81 6.94 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 165.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' LYS . . . . . 0.489 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 28.9 ttmt -78.42 -4.57 48.95 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.193 -164.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -117.58 -0.78 11.79 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 118.05 -1.46 . . . . 0.0 114.297 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . 0.413 HD22 ' CG1' ' B' ' 47' ' ' ILE . 3.6 mm? -120.21 -47.21 2.38 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.453 0.644 . . . . 0.0 111.467 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.7 -29.26 7.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.405 -166.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 17.9 mtmt . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.623 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -104.73 -13.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 0.0 110.272 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -113.77 131.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.96 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.93 150.0 43.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.055 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.17 -15.15 55.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.515 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -6.95 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.76 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.26 -10.41 17.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.159 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' CD2' HD21 ' A' ' 43' ' ' LEU . 6.2 mp -119.39 -23.05 6.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.84 0.352 . . . . 0.0 111.02 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -130.05 130.34 44.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.42 139.77 50.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.496 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.65 131.97 49.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.065 0.46 . . . . 0.0 110.838 -176.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.829 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.62 165.91 5.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 124.132 0.973 . . . . 0.0 112.676 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.829 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 62.2 Cg_exo -46.45 -34.7 15.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.201 2.601 . . . . 0.0 114.291 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.54 -31.88 0.25 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -165.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.3 p -116.74 45.66 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.94 28.64 1.52 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -147.77 -21.32 0.36 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -165.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.17 -31.81 0.81 Allowed 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.904 -174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.95 26.46 37.42 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.652 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.58 ' O ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -135.06 -156.64 0.74 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 122.571 0.348 . . . . 0.0 110.131 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.617 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.0 mm -174.93 95.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 59.88 48.02 9.41 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.53 0.519 . . . . 0.0 110.517 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.63 1.57 17.32 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.458 -0.877 . . . . 0.0 113.012 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.617 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -119.26 146.19 40.2 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-N 114.66 -0.77 . . . . 0.0 111.042 -168.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.14 120.5 8.06 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.488 2.792 . . . . 0.0 112.821 -176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.415 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 45.0 t -69.94 136.19 87.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 21' ' ' ILE . 57.2 Cg_exo -34.76 -58.62 0.37 Allowed 'Trans proline' 0 C--N 1.355 0.909 1 C-N-CA 125.746 4.297 . . . . 0.0 116.135 -178.039 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.57 -7.47 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -163.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 19.9 p -130.16 92.97 3.38 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 p -68.12 51.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.44 46.49 3.23 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.441 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HG2' ' HG2' ' B' ' 49' ' ' LYS . 2.1 mppt? -121.34 -35.87 3.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 109.774 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.73 -38.93 3.08 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG11 ' HA ' ' A' ' 11' ' ' ALA . 30.7 m -112.06 161.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.966 0.412 . . . . 0.0 111.238 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.1 pt -124.33 161.89 26.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.848 174.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD21 ' CZ ' ' B' ' 46' ' ' PHE . 4.2 mp -89.91 164.36 14.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.646 0.736 . . . . 0.0 112.635 -172.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.06 -178.28 3.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.451 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.43 98.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.631 0.65 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -60.72 -44.04 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.642 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -32.05 78.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.67 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.538 ' HA ' HD21 ' A' ' 44' ' ' LEU . 3.2 m-85 -70.51 -31.83 69.08 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.067 0.147 . . . . 0.0 111.222 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -70.3 -30.34 67.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.288 0.566 . . . . 0.0 109.937 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.634 ' O ' HG21 ' A' ' 47' ' ' ILE . 7.2 mp -86.52 -24.91 25.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.486 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -78.87 -41.81 28.96 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.7 -22.78 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.384 0.611 . . . . 0.0 110.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CZ ' HD21 ' C' ' 36' ' ' LEU . 51.3 t80 -74.79 -40.34 61.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.57 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.634 HG21 ' O ' ' A' ' 43' ' ' LEU . 24.0 pt -78.11 -34.3 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.085 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' HB2' ' A' ' 53' ' ' LYS . 44.2 mm-40 -50.38 -64.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.719 170.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.629 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -77.23 -0.33 24.83 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.012 -162.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.672 ' O ' HD21 ' A' ' 51' ' ' LEU . 28.0 m80 -115.73 -5.27 12.12 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.67 -1.612 . . . . 0.0 113.517 168.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD21 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -127.89 -47.96 1.37 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.545 0.611 . . . . 0.0 111.998 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.88 -23.55 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.944 0.402 . . . . 0.0 112.003 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.629 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 7.5 mtmt . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.033 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -105.18 -16.37 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.345 0.593 . . . . 0.0 110.318 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -111.78 131.58 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.911 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.91 151.82 41.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.068 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -65.68 -14.15 60.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.26 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.54 -8.04 59.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.36 -11.8 17.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.309 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.431 ' CD2' HD21 ' B' ' 43' ' ' LEU . 6.2 mp -118.26 -22.54 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.87 130.47 43.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.14 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.69 140.08 49.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.481 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -63.79 132.46 50.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.121 0.486 . . . . 0.0 110.824 -177.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.841 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.45 166.08 6.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.764 -169.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.841 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 60.6 Cg_exo -46.63 -35.41 16.99 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.002 2.468 . . . . 0.0 114.165 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -148.69 -29.71 0.28 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -166.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.734 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 8.2 p -115.76 43.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -167.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HG2' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 28.74 1.42 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -148.81 -24.0 0.31 Allowed 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -165.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 -31.08 0.9 Allowed 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.621 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.36 25.37 39.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.425 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.734 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -142.04 163.87 31.7 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.424 0.63 . . . . 0.0 111.116 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.587 ' O ' ' HB ' ' B' ' 24' ' ' THR . 34.9 mm -125.23 103.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 169.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.37 49.39 4.2 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.704 0.627 . . . . 0.0 110.779 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 3.49 22.45 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.842 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -120.61 143.86 37.28 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-N 114.476 -0.862 . . . . 0.0 111.245 -167.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -53.38 124.78 16.54 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.191 2.594 . . . . 0.0 112.322 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.467 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 42.0 t -77.59 138.37 62.91 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.317 -0.856 . . . . 0.0 113.032 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 64.3 Cg_exo -34.7 -59.4 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.972 1 C-N-CA 125.573 4.182 . . . . 0.0 116.056 -177.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.19 -7.37 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.833 -163.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.4 p -130.21 94.01 3.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.4 53.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.63 41.67 4.38 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.617 172.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.458 ' HG2' ' HG2' ' C' ' 49' ' ' LYS . 2.3 mppt? -117.18 -35.64 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.514 . . . . 0.0 109.719 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 110.29 -38.93 3.08 Favored Glycine 0 N--CA 1.438 -1.209 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.414 HG11 ' HA ' ' B' ' 11' ' ' ALA . 29.7 m -111.15 161.43 9.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -124.48 161.63 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.744 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' C' ' 46' ' ' PHE . 4.2 mp -88.98 164.37 15.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.513 0.673 . . . . 0.0 112.703 -172.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -105.19 -178.5 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.434 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.51 98.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.724 0.693 . . . . 0.0 110.536 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.41 -43.94 96.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.701 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.426 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -67.14 -31.8 78.6 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.703 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.52 ' HA ' HD21 ' B' ' 44' ' ' LEU . 3.3 m-85 -70.43 -32.01 69.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.14 . . . . 0.0 111.211 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -69.96 -30.6 68.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.3 0.572 . . . . 0.0 109.988 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.613 ' O ' HG21 ' B' ' 47' ' ' ILE . 7.4 mp -86.58 -24.34 25.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.479 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -79.02 -41.9 27.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.623 -176.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.87 -22.63 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.311 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.468 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 51.5 t80 -74.66 -40.41 61.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.613 HG21 ' O ' ' B' ' 43' ' ' LEU . 25.0 pt -78.21 -34.35 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.001 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' C ' ' HB2' ' B' ' 53' ' ' LYS . 47.7 mm-40 -50.38 -63.73 1.03 Allowed 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.351 0.596 . . . . 0.0 109.423 170.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 0.5 OUTLIER -76.98 -2.03 31.75 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.138 -162.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.651 ' O ' HD21 ' B' ' 51' ' ' LEU . 28.8 m80 -115.47 -4.86 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 117.432 -1.707 . . . . 0.0 113.451 169.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.651 HD21 ' O ' ' B' ' 50' ' ' HIS . 13.7 mt -128.35 -47.61 1.31 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.343 0.519 . . . . 0.0 112.034 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.76 -21.67 12.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.8 mtmt . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.447 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.24 -16.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.25 0.548 . . . . 0.0 110.446 -177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.5 131.58 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.959 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.99 150.49 42.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.044 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -63.19 -15.77 58.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.624 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.52 -7.36 59.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.657 -174.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.06 -10.67 17.87 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.272 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.43 ' CD2' HD21 ' C' ' 43' ' ' LEU . 6.2 mp -119.18 -23.11 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.08 130.51 44.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.67 140.15 49.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.486 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.06 132.82 51.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.162 0.506 . . . . 0.0 110.495 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.24 168.28 4.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.284 -0.871 . . . . 0.0 113.245 -169.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.604 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 72.7 Cg_exo -47.3 -37.29 24.32 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.097 2.532 . . . . 0.0 113.701 175.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -147.53 -29.94 0.33 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -166.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.706 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 6.2 p -114.06 41.96 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -166.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.02 27.89 1.51 Allowed 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -148.08 -22.77 0.35 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -165.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.83 -30.37 0.82 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.582 -173.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.04 26.75 39.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.442 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.706 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.0 OUTLIER -143.46 163.45 33.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.615 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.4 mm -125.43 101.98 9.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 63.21 50.95 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.788 0.68 . . . . 0.0 110.553 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.71 6.28 22.49 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.935 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.615 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.4 m -122.93 143.24 40.03 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 114.529 -0.836 . . . . 0.0 111.521 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.47 126.09 20.63 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.427 2.751 . . . . 0.0 112.288 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.526 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 51.3 t -80.1 138.64 52.85 Favored Pre-proline 0 N--CA 1.448 -0.53 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.526 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 55.4 Cg_exo -34.09 -59.37 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 1 C-N-CA 125.892 4.394 . . . . 0.0 115.961 -177.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.78 -7.06 7.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.574 -165.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.435 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 21.3 p -128.92 92.05 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.58 53.75 0.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.75 43.52 4.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.379 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -118.75 -35.66 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 109.859 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 110.9 -38.6 3.23 Favored Glycine 0 N--CA 1.438 -1.206 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' C' ' 11' ' ' ALA . 30.8 m -112.22 162.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.508 HG22 ' SG ' ' C' ' 12' ' ' CYS . 13.2 pt -124.67 162.14 27.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.91 174.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.454 HD22 HD21 ' C' ' 44' ' ' LEU . 4.2 mp -89.27 164.11 15.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.439 0.638 . . . . 0.0 112.503 -173.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.0 p -105.14 -178.82 3.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.413 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.77 96.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.733 0.697 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.09 -45.02 94.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.95 -31.78 80.59 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.668 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.523 ' HA ' HD21 ' C' ' 44' ' ' LEU . 3.2 m-85 -70.57 -32.31 69.66 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.079 0.151 . . . . 0.0 111.173 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -70.01 -30.49 67.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.224 0.535 . . . . 0.0 110.116 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.64 ' O ' HG21 ' C' ' 47' ' ' ILE . 7.4 mp -86.32 -24.69 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.45 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -78.51 -42.16 30.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -71.61 -23.11 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.449 ' CZ ' HD21 ' B' ' 36' ' ' LEU . 50.3 t80 -74.45 -40.79 61.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.632 174.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.64 HG21 ' O ' ' C' ' 43' ' ' LEU . 24.4 pt -77.82 -33.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.988 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -51.18 -63.48 1.12 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.578 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 0.7 OUTLIER -77.14 -2.18 33.01 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.878 -1.056 . . . . 0.0 112.96 -162.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . 0.675 ' O ' HD21 ' C' ' 51' ' ' LEU . 29.7 m80 -115.43 -4.86 12.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 117.391 -1.724 . . . . 0.0 113.464 169.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.675 HD21 ' O ' ' C' ' 50' ' ' HIS . 13.3 mt -128.7 -47.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.269 0.486 . . . . 0.0 112.183 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -21.89 12.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.578 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.6 mtmt . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.502 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.41 ' HE1' ' OG1' ' B' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.89 -9.97 9.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 0.0 110.143 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -112.67 136.94 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.17 146.59 49.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.543 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.36 -16.36 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.525 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.2 -4.17 56.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.75 -16.08 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.778 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.33 -16.08 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 110.728 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.563 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 44.9 mt-10 -138.36 135.4 35.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.321 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 144.23 37.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.84 130.47 44.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.107 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.881 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 40.5 t -60.0 155.28 44.67 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.876 -168.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.881 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 57.4 Cg_exo -42.12 -25.5 0.41 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.168 3.245 . . . . 0.0 115.505 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -153.97 -34.71 0.1 Allowed 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -168.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -117.62 45.27 1.97 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -166.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.45 29.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.917 0.865 . . . . 0.0 108.798 -175.773 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -148.85 -29.6 0.27 Allowed 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -162.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.57 -38.79 2.49 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.607 -172.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.28 17.19 37.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 119.972 -1.109 . . . . 0.0 112.877 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.84 166.43 32.72 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 24' ' ' THR . 36.2 mt -141.44 126.37 17.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 54.28 42.32 31.54 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.708 0.63 . . . . 0.0 110.741 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -2.56 21.25 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.845 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.638 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 1.1 t -120.32 160.3 44.18 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 117.678 0.739 . . . . 0.0 111.699 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.638 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 14.4 Cg_endo -54.11 136.88 69.04 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.871 2.381 . . . . 0.0 112.035 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.55 140.14 31.74 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.6 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -26.5 -52.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 1 C-N-CA 126.068 4.512 . . . . 0.0 116.34 -177.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.31 -1.27 4.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -168.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 25.3 p -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.053 0.454 . . . . 0.0 110.251 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -85.78 58.43 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.412 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 89.69 48.68 3.6 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.185 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 14.2 mtpp -122.61 -40.37 2.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -172.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.27 -40.39 2.55 Favored Glycine 0 N--CA 1.434 -1.491 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.0 167.75 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 0.0 112.136 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.58 163.85 35.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.922 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD23 HD22 ' A' ' 44' ' ' LEU . 4.9 mp -88.04 163.9 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -172.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.458 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 59.7 p -106.21 174.96 5.66 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.431 -1.259 . . . . 0.0 108.172 172.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.04 82.02 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.884 0.765 . . . . 0.0 111.093 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -52.25 -52.49 52.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.86 -30.81 78.97 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 113.34 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD22 ' A' ' 44' ' ' LEU . 6.8 m-85 -69.29 -33.31 73.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.078 0.439 . . . . 0.0 111.146 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -69.43 -30.68 68.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.722 0.772 . . . . 0.0 109.915 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.2 mp -87.23 -12.74 45.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.509 -177.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -84.97 -44.04 13.46 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.026 -0.669 . . . . 0.0 110.067 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.23 -23.31 61.98 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.177 0.513 . . . . 0.0 110.099 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.6 -43.22 60.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.055 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 43' ' ' LEU . 21.4 pt -79.36 -28.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.918 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 20.3 mm-40 -58.12 -52.36 65.87 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 19.7 ttpt -79.32 -3.41 45.99 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.968 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -117.57 -0.76 11.8 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 116.938 -1.905 . . . . 0.0 113.823 168.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 HD13 ' ND2' ' C' ' 52' ' ' ASN . 3.7 mm? -116.15 -29.51 6.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.148 0.499 . . . . 0.0 111.17 173.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' ND2' HD13 ' B' ' 51' ' ' LEU . 2.2 m-80 -136.74 -30.68 0.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.312 -164.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.688 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 16.3 mtmt . . . . . 0 C--O 1.247 0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.24 -7.55 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.423 0.63 . . . . 0.0 110.248 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -115.91 136.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 146.38 49.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.302 171.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -61.58 -16.06 44.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.613 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.13 -4.64 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.426 -175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -103.11 -15.66 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.031 0.443 . . . . 0.0 110.741 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.1 -15.88 12.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.097 0.475 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.534 ' OE1' ' HE3' ' C' ' 49' ' ' LYS . 45.0 mt-10 -138.35 137.83 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.274 175.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.77 145.25 35.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.449 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.47 131.19 46.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.268 0.556 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.901 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 14.3 t -58.61 155.86 26.97 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.064 -169.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.901 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 57.6 Cg_exo -42.56 -26.49 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.278 3.319 . . . . 0.0 115.014 177.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -153.75 -33.56 0.11 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -169.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.81 46.46 1.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -167.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.449 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.3 28.92 1.33 Allowed 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -176.303 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -148.92 -29.26 0.27 Allowed 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -163.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.84 2.75 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.563 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.412 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.99 18.81 38.62 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.406 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -158.19 166.12 33.21 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.61 ' O ' HG22 ' B' ' 24' ' ' THR . 30.9 mt -142.18 126.45 16.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 54.45 42.05 31.6 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 123.896 0.747 . . . . 0.0 110.619 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.84 -1.84 28.55 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.954 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.61 HG22 ' O ' ' B' ' 21' ' ' ILE . 2.8 t -121.08 158.16 53.42 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 117.374 0.587 . . . . 0.0 111.556 -172.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.607 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 13.5 Cg_endo -53.95 133.59 55.57 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.844 2.363 . . . . 0.0 111.681 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.438 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 32.3 t -85.22 141.84 37.6 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.54 -170.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 62.5 Cg_exo -26.69 -51.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 126.206 4.604 . . . . 0.0 116.683 -177.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -1.62 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -169.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 19.9 p -136.7 100.64 4.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -82.08 58.28 3.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.211 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.412 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 89.67 47.86 3.85 Favored Glycine 0 CA--C 1.505 -0.534 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.172 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 14.6 mtpp -121.54 -40.75 2.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -171.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.83 -39.88 2.71 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.49 168.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.207 0.527 . . . . 0.0 112.098 -176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 pt -130.81 163.94 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.801 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.455 HD23 HD22 ' B' ' 44' ' ' LEU . 4.8 mp -87.94 163.96 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -172.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.437 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 44.8 p -106.18 174.9 5.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.178 172.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.98 76.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.826 0.739 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -51.89 -52.98 45.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.536 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.24 -30.96 79.29 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.235 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.526 ' HA ' HD22 ' B' ' 44' ' ' LEU . 6.1 m-85 -69.4 -33.2 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.128 0.464 . . . . 0.0 111.188 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.41 ' OG1' ' HE1' ' A' ' 1' ' ' FME . 24.9 m -69.18 -31.04 69.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.763 0.792 . . . . 0.0 109.983 175.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.532 ' O ' HG23 ' B' ' 47' ' ' ILE . 4.2 mp -87.13 -12.79 46.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.528 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.526 HD22 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -84.91 -44.16 13.42 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.041 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.26 -23.1 61.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.07 0.462 . . . . 0.0 110.117 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.79 -43.59 58.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.073 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.532 HG23 ' O ' ' B' ' 43' ' ' LEU . 21.3 pt -79.26 -28.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.844 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 21.2 mm-40 -58.16 -52.0 67.38 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.715 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 21.0 ttpt -79.63 -3.33 46.66 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.971 -167.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -117.5 -0.75 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 116.928 -1.909 . . . . 0.0 113.847 168.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.456 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.8 mm? -116.11 -29.43 6.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.287 0.565 . . . . 0.0 111.032 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.459 ' ND2' HD13 ' C' ' 51' ' ' LEU . 2.2 m-80 -136.44 -31.15 0.89 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.07 -164.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.715 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 16.1 mtmt . . . . . 0 C--O 1.249 1.066 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -105.54 -9.73 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.299 0.571 . . . . 0.0 110.294 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -113.31 137.74 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.8 146.65 50.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.655 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.14 -16.39 43.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.582 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.89 -4.7 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.536 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -102.76 -16.43 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.0 110.644 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.05 -16.05 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 110.853 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . 0.527 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 45.2 mt-10 -137.68 138.02 38.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.066 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.8 p -128.85 145.11 36.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.475 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.24 130.7 44.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.85 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.887 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 16.5 t -58.94 154.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.093 -169.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.887 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 49.3 Cg_exo -41.41 -26.58 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.415 3.41 . . . . 0.0 115.32 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -153.25 -34.32 0.11 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.489 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 17.0 p -117.9 45.27 2.0 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -165.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.475 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.99 29.03 1.43 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -175.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -148.74 -27.24 0.3 Allowed 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -163.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.77 -35.36 2.31 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.898 -1.047 . . . . 0.0 112.897 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . 0.444 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 92.69 17.28 45.54 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.569 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.87 164.64 37.84 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.599 ' O ' HG22 ' C' ' 24' ' ' THR . 33.5 mt -141.53 126.03 17.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 54.46 43.63 30.05 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.895 0.747 . . . . 0.0 111.064 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.73 -0.1 22.33 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.938 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.624 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 2.9 t -122.74 158.99 55.28 Favored Pre-proline 0 C--O 1.239 0.535 0 CA-C-N 117.507 0.654 . . . . 0.0 111.511 -173.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . 0.624 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 12.9 Cg_endo -53.11 136.44 61.49 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.975 2.45 . . . . 0.0 111.622 174.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 t -88.66 141.24 29.98 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.287 -170.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -25.48 -51.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.064 1 C-N-CA 126.271 4.647 . . . . 0.0 116.615 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.39 -1.23 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' C' ' 32' ' ' LYS . 20.0 p -137.02 100.68 4.35 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.532 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -80.47 57.94 3.01 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.142 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . 0.444 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.41 48.93 3.84 Favored Glycine 0 CA--C 1.504 -0.645 0 C-N-CA 120.166 -1.016 . . . . 0.0 111.156 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 15.0 mtpp -121.21 -41.35 2.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -172.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.52 -40.12 2.61 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.42 167.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.224 0.535 . . . . 0.0 112.152 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 pt -130.14 164.14 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.787 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.472 HD23 HD22 ' C' ' 44' ' ' LEU . 4.8 mp -88.2 163.81 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' THR . . . . . 0.446 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 68.3 p -106.0 175.58 5.45 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.41 -1.268 . . . . 0.0 108.25 172.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.19 84.01 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.018 0.826 . . . . 0.0 111.054 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -51.91 -52.85 47.09 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.481 172.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.49 -31.12 79.82 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.307 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.52 ' HA ' HD22 ' C' ' 44' ' ' LEU . 6.1 m-85 -69.35 -33.04 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.109 0.455 . . . . 0.0 111.165 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -69.71 -30.72 68.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.633 0.73 . . . . 0.0 110.068 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.517 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.2 mp -87.06 -13.21 44.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.576 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -84.22 -44.4 13.95 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.976 -179.518 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.21 -23.03 61.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.108 0.48 . . . . 0.0 110.118 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -73.81 -43.46 58.73 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.144 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.517 HG23 ' O ' ' C' ' 43' ' ' LEU . 21.4 pt -79.36 -28.91 13.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 21.0 mm-40 -57.81 -52.12 66.76 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 168.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.712 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 19.6 ttpt -79.28 -4.02 48.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.082 -167.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -117.32 -0.36 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 116.932 -1.907 . . . . 0.0 113.778 169.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.459 HD13 ' ND2' ' B' ' 52' ' ' ASN . 3.7 mm? -116.88 -27.63 6.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.249 0.547 . . . . 0.0 111.249 173.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . 0.474 ' ND2' HD13 ' A' ' 51' ' ' LEU . 2.5 m-80 -139.54 -29.07 0.75 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.394 -163.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.712 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 15.7 mtmt . . . . . 0 C--O 1.248 0.995 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -104.89 1.74 10.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.708 . . . . 0.0 110.072 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -134.99 135.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.222 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.15 150.94 41.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.002 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 m -67.9 -14.13 62.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.045 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.03 -6.55 58.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -103.79 -12.67 16.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.76 -18.19 11.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.557 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' OE2' ' HE1' ' B' ' 50' ' ' HIS . 23.3 mt-10 -137.1 136.77 38.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.182 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.41 145.21 36.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.62 131.4 47.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.135 0.493 . . . . 0.0 110.896 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.713 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.25 171.07 1.77 Allowed Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 124.165 0.986 . . . . 0.0 113.33 -171.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.713 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 59.2 Cg_exo -47.96 -41.6 32.61 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.286 2.657 . . . . 0.0 114.442 173.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -146.34 -25.83 0.43 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -165.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.7 p -115.27 40.98 2.55 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -168.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -90.66 35.68 0.89 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.626 -178.667 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -149.37 -23.92 0.29 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.25 -28.92 1.86 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.47 49.78 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.266 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.64 155.72 41.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.509 . . . . 0.0 111.062 -176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.503 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.6 mm -123.57 103.46 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.87 48.58 3.12 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.042 0.839 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.52 9.83 20.05 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.732 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -122.74 145.81 46.3 Favored Pre-proline 0 C--N 1.305 -1.344 0 CA-C-N 114.376 -0.912 . . . . 0.0 110.681 -170.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.54 135.17 68.84 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 0.0 111.979 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.495 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 45.6 t -90.84 137.35 26.87 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 66.9 Cg_exo -31.45 -60.11 0.17 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 126.16 4.573 . . . . 0.0 116.47 -177.168 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.19 -6.6 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.422 0.63 . . . . 0.0 111.377 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 30.0 p -130.6 88.67 2.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.742 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -75.76 55.34 0.86 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.238 0.542 . . . . 0.0 111.457 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.88 46.05 2.53 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.276 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -117.52 -43.86 2.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.466 0.65 . . . . 0.0 109.518 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.63 -38.14 3.2 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -174.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -112.67 163.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.89 0.376 . . . . 0.0 111.802 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 HG21 ' SG ' ' A' ' 12' ' ' CYS . 9.6 pt -124.12 159.98 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.645 175.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.35 161.99 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.814 0.816 . . . . 0.0 112.999 -171.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -106.03 174.89 5.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.319 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.96 80.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.507 0.594 . . . . 0.0 111.405 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.53 -42.48 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.781 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.74 -30.22 70.71 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.542 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.9 m-85 -69.51 -32.93 72.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.402 0.144 . . . . 0.0 111.163 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.34 0.59 . . . . 0.0 110.448 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' HG21 ' A' ' 47' ' ' ILE . 6.1 mp -87.58 -16.9 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -82.73 -45.83 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.963 -177.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.47 -21.58 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.047 0.451 . . . . 0.0 110.551 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.38 -40.35 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.584 HG21 ' O ' ' A' ' 43' ' ' LEU . 29.9 pt -77.55 -31.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.113 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.0 mm-40 -52.59 -58.16 7.68 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.63 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.89 0.78 22.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.256 -164.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.646 ' O ' HD22 ' A' ' 51' ' ' LEU . 12.2 m-70 -114.61 -10.96 12.44 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 117.618 -1.633 . . . . 0.0 114.253 168.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.646 HD22 ' O ' ' A' ' 50' ' ' HIS . 19.0 mt -127.68 -42.22 1.63 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.108 0.867 . . . . 0.0 111.895 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -106.06 -25.31 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.417 . . . . 0.0 111.927 -173.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.63 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.9 mtmm . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.236 -0.887 . . . . 0.0 109.015 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -105.41 3.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 110.186 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.42 HG21 ' HG3' ' C' ' 39' ' ' GLN . 16.2 tt -136.43 135.48 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.231 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.88 149.8 42.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.788 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.5 m -66.53 -14.26 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.758 -176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.15 -6.04 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.373 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -103.61 -12.95 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.99 -17.99 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.481 ' OE2' ' HE1' ' C' ' 50' ' ' HIS . 22.8 mt-10 -137.33 136.32 37.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.158 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.53 145.43 35.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.549 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -64.05 131.41 47.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.061 0.457 . . . . 0.0 111.221 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.794 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.6 OUTLIER -61.6 168.02 3.75 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.118 0.967 . . . . 0.0 113.141 -172.234 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.794 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 54.3 Cg_exo -46.59 -39.8 23.22 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.5 2.133 . . . . 0.0 114.146 171.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -146.01 -24.52 0.45 Allowed 'General case' 0 C--N 1.347 0.486 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.605 ' SG ' 'ZN ' ' B' ' 54' ' ' ' ZN' . 7.5 p -116.59 41.38 2.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -168.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.549 ' HG2' ' HB3' ' B' ' 11' ' ' ALA . 0.4 OUTLIER -90.33 34.48 0.87 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.411 0.624 . . . . 0.0 110.685 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -150.25 -25.95 0.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.98 -39.67 2.08 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.84 23.64 25.06 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 119.556 -1.307 . . . . 0.0 113.69 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.551 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.0 pt-20 -152.95 159.16 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.129 0.465 . . . . 0.0 110.888 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.437 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.3 mm -124.29 102.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 64.06 49.69 2.66 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 124.163 0.914 . . . . 0.0 111.436 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.74 10.11 23.06 Favored Glycine 0 N--CA 1.467 0.727 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.828 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -124.39 143.73 43.85 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 114.46 -0.87 . . . . 0.0 110.44 -169.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -55.8 134.08 61.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.825 2.35 . . . . 0.0 112.436 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.2 t -89.29 134.6 32.62 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -29.69 -57.99 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 1 C-N-CA 126.617 4.878 . . . . 0.0 116.765 -176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.16 -8.63 9.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.748 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 21.8 p -130.88 93.49 3.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 58.52 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 46.57 2.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.609 -0.723 . . . . 0.0 113.318 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 44.5 mtmt -119.24 -44.76 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.627 0.727 . . . . 0.0 109.257 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 117.31 -38.57 2.93 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.85 163.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.935 0.397 . . . . 0.0 111.864 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 pt -124.04 159.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.412 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.457 HD22 HD23 ' B' ' 44' ' ' LEU . 4.3 mp -87.25 161.98 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -105.86 173.45 6.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.539 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.38 70.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 118.33 0.514 . . . . 0.0 111.638 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.11 -44.2 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.655 0.264 . . . . 0.0 110.731 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.4 -28.43 71.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.534 ' HA ' HD23 ' B' ' 44' ' ' LEU . 11.4 m-85 -69.37 -32.24 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.576 0.227 . . . . 0.0 110.966 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -71.14 -31.27 67.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.499 0.666 . . . . 0.0 109.965 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.595 ' O ' HG21 ' B' ' 47' ' ' ILE . 6.2 mp -87.21 -20.01 27.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.433 -176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -80.83 -45.46 16.86 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.596 -0.69 . . . . 0.0 110.304 -177.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.61 -21.39 60.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.421 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -74.09 -40.47 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.673 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.595 HG21 ' O ' ' B' ' 43' ' ' LEU . 28.0 pt -77.62 -31.31 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.985 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -52.19 -58.6 6.13 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.648 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 25.7 ttmt -77.55 0.86 21.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.312 -164.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.655 ' O ' HD22 ' B' ' 51' ' ' LEU . 11.5 m-70 -114.56 -9.45 12.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.073 168.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.655 HD22 ' O ' ' B' ' 50' ' ' HIS . 23.7 mt -129.21 -42.81 1.34 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.024 0.829 . . . . 0.0 111.877 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -106.34 -23.41 12.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 0.0 111.899 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.648 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.456 -0.783 . . . . 0.0 109.187 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.67 3.26 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.804 0.811 . . . . 0.0 110.043 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.0 tt -136.86 134.82 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.29 149.24 43.99 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.778 174.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -65.22 -14.53 60.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.236 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.6 -6.31 58.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.31 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -104.08 -11.7 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.38 -17.84 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.786 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . 0.437 ' OE2' ' HE1' ' A' ' 50' ' ' HIS . 23.2 mt-10 -137.57 135.37 36.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.047 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.57 144.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.2 131.44 47.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.418 0.627 . . . . 0.0 111.127 -176.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.688 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.51 171.44 1.73 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.507 -170.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.688 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 67.6 Cg_exo -49.0 -41.82 39.41 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.888 2.392 . . . . 0.0 114.259 173.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.98 -26.59 0.48 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -165.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.521 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 28.6 p -115.31 41.44 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 118.992 -1.083 . . . . 0.0 113.829 -168.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -89.53 35.3 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -149.25 -25.57 0.29 Allowed 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.96 -33.29 2.23 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 115.431 -0.804 . . . . 0.0 113.033 -169.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.75 25.59 37.91 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.405 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -150.97 156.05 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.153 0.502 . . . . 0.0 111.328 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.566 ' O ' ' HB ' ' C' ' 24' ' ' THR . 33.2 mm -123.12 102.2 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 175.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 64.45 50.22 2.28 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.312 1.007 . . . . 0.0 111.285 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 12.06 25.38 Favored Glycine 0 N--CA 1.465 0.618 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.72 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -125.54 144.43 47.97 Favored Pre-proline 0 C--N 1.303 -1.444 0 CA-C-N 114.34 -0.93 . . . . 0.0 110.553 -168.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -57.47 132.37 50.2 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.731 2.287 . . . . 0.0 112.463 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.447 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 53.3 t -89.26 135.64 31.08 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -170.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 60.1 Cg_exo -30.29 -58.55 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 126.511 4.808 . . . . 0.0 116.846 -176.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.33 -6.88 9.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.403 0.62 . . . . 0.0 111.271 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 31.8 p -130.87 89.86 2.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.775 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -76.96 56.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 111.213 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.15 46.1 2.68 Favored Glycine 0 N--CA 1.441 -0.969 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.052 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' C' ' 32' ' ' LYS . 42.8 mtmt -117.49 -43.93 2.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.5 0.667 . . . . 0.0 109.274 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 115.8 -38.18 3.17 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.93 164.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 111.728 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.447 HG21 ' SG ' ' C' ' 12' ' ' CYS . 8.7 pt -124.16 160.0 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.621 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.475 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -87.48 161.58 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.746 0.784 . . . . 0.0 113.082 -171.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -105.7 174.79 5.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.508 -1.224 . . . . 0.0 108.19 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.63 78.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.411 0.551 . . . . 0.0 111.455 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . 0.42 ' HG3' HG21 ' B' ' 3' ' ' ILE . 53.9 tt0 -59.44 -44.37 92.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.56 -27.97 71.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.845 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.531 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.9 m-85 -69.56 -32.03 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.541 0.21 . . . . 0.0 110.897 175.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.2 m -71.08 -32.12 68.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.453 0.644 . . . . 0.0 110.009 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.577 ' O ' HG21 ' C' ' 47' ' ' ILE . 6.3 mp -87.19 -19.12 28.88 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.502 -175.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.9 OUTLIER -81.19 -45.14 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.377 -178.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.59 -22.35 60.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 0.0 110.489 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.84 -40.0 63.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.554 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.577 HG21 ' O ' ' C' ' 43' ' ' LEU . 28.5 pt -77.67 -31.38 17.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.24 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -50.87 -58.95 4.7 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.58 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 28.3 ttmt -77.87 0.7 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.211 -163.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . 0.63 ' O ' HD22 ' C' ' 51' ' ' LEU . 12.1 m-70 -114.75 -9.74 12.5 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 117.45 -1.7 . . . . 0.0 114.167 168.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.63 HD22 ' O ' ' C' ' 50' ' ' HIS . 22.3 mt -127.63 -43.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.004 0.82 . . . . 0.0 111.859 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.58 -24.65 12.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.573 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.58 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 8.2 mtmm . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.549 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . 0.605 'ZN ' ' SG ' ' B' ' 15' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -105.51 -6.22 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.444 0.64 . . . . 0.0 110.683 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.62 136.8 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.308 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.27 163.35 16.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 m -65.98 -13.82 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.333 0.587 . . . . 0.0 110.066 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.77 -5.59 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.51 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.7 -0.42 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.272 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -121.59 -26.54 4.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.653 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -146.77 152.08 38.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.397 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.87 144.56 36.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.187 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 34' ' ' VAL . . . -64.17 134.47 54.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.13 0.491 . . . . 0.0 110.623 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.638 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.2 m -56.32 165.86 1.39 Allowed Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -171.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -51.37 -32.55 42.56 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.975 2.45 . . . . 0.0 113.187 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -152.24 -29.7 0.16 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.66 41.78 2.44 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -167.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -91.81 28.03 1.91 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -177.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -148.68 -24.22 0.32 Allowed 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -164.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.32 -36.13 1.5 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.116 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.15 20.0 44.11 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.95 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.41 162.96 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.557 ' O ' ' HB ' ' A' ' 24' ' ' THR . 26.8 mm -127.8 108.37 17.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 60.74 45.47 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.356 0.41 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.07 4.96 17.51 Favored Glycine 0 CA--C 1.509 -0.322 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.519 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.65 146.45 39.92 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.173 -170.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.49 133.8 58.37 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.126 2.55 . . . . 0.0 111.975 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 46.9 t -85.71 140.06 35.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.53 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.4 Cg_exo -31.39 -53.67 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 125.71 4.273 . . . . 0.0 116.115 -178.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -3.27 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -167.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 13.8 p -130.61 105.88 8.12 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 p -82.14 50.84 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.957 -0.464 . . . . 0.0 112.244 -177.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.88 39.9 5.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.15 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -110.93 -39.9 4.67 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.8 -38.85 2.86 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.57 163.67 12.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.638 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.0 pt -124.34 161.24 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.256 173.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.477 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -87.08 156.53 19.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -173.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.12 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.02 169.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.51 -44.54 85.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.699 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.54 -30.23 73.04 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.79 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.546 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.9 m-85 -69.2 -32.34 71.55 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.828 -0.219 . . . . 0.0 110.854 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.425 ' OG1' ' HE1' ' C' ' 1' ' ' FME . 23.8 m -70.44 -35.42 73.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.313 0.578 . . . . 0.0 110.856 174.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.529 ' O ' HG21 ' A' ' 47' ' ' ILE . 6.3 mp -86.45 -13.3 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.449 -174.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -82.35 -42.63 18.46 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.744 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.24 -25.12 63.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.975 0.417 . . . . 0.0 110.673 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 63.6 t80 -74.87 -39.39 61.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 43' ' ' LEU . 22.8 pt -79.61 -31.63 14.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.564 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 84.6 mm-40 -55.29 -58.14 8.92 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.831 168.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 27.7 ttpt -79.0 1.17 24.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.005 -165.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.424 ' NE2' HD23 ' C' ' 36' ' ' LEU . 62.0 m80 -117.42 -1.31 11.76 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.794 -1.562 . . . . 0.0 114.033 164.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' C' ' 52' ' ' ASN . 3.4 mm? -121.98 -42.89 2.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.744 0.702 . . . . 0.0 111.346 175.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' OD1' HD13 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -124.06 -19.79 5.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -166.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.593 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.568 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.406 ' HE1' ' OG1' ' C' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -105.2 -8.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.453 0.644 . . . . 0.0 110.611 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.424 HG21 ' HG3' ' C' ' 39' ' ' GLN . 16.8 tt -122.97 137.38 56.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.263 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.71 164.16 15.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.2 m -65.43 -13.51 58.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.511 . . . . 0.0 110.241 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.7 -6.08 59.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.738 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.9 0.46 38.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.188 0.518 . . . . 0.0 109.978 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.0 mt -123.43 -27.34 4.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -146.83 151.02 36.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.12 146.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.976 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' B' ' 34' ' ' VAL . . . -64.12 134.46 54.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.518 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -58.41 165.03 3.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.081 -0.963 . . . . 0.0 113.185 -171.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 91.0 Cg_exo -51.36 -30.81 35.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.843 2.362 . . . . 0.0 113.965 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -151.31 -31.0 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -165.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.421 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 24.2 p -116.28 43.14 2.24 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -169.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -91.18 27.42 1.89 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.032 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -147.97 -27.19 0.34 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -164.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.66 -35.3 2.14 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.105 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.78 50.56 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.968 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 6.2 pt-20 -149.9 158.86 44.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.471 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.4 mm -125.97 107.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 59.9 43.62 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.322 0.389 . . . . 0.0 111.119 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.07 2.82 20.22 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.427 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -118.28 144.43 35.0 Favored Pre-proline 0 C--N 1.309 -1.188 0 CA-C-N 115.191 -0.505 . . . . 0.0 111.044 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.21 127.97 28.0 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.596 2.864 . . . . 0.0 112.622 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.426 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.2 t -79.28 138.0 56.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -171.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -30.36 -54.1 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.049 1 C-N-CA 125.926 4.418 . . . . 0.0 116.06 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.56 -3.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -167.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 14.9 p -132.76 103.99 6.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -82.02 51.67 1.81 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.5 43.16 4.34 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.884 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -114.3 -40.34 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.26 -39.75 2.56 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -177.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' B' ' 11' ' ' ALA . 34.3 m -114.2 163.0 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 pt -124.54 161.04 28.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.179 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.474 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -87.38 156.49 19.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.188 0.811 . . . . 0.0 113.188 -172.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -107.15 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.122 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.05 -45.69 68.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.96 -45.72 86.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.969 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 -30.05 75.03 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.062 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.527 ' HA ' HD23 ' B' ' 44' ' ' LEU . 10.5 m-85 -69.51 -32.76 71.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.726 -0.279 . . . . 0.0 110.959 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.61 -35.2 75.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.331 0.586 . . . . 0.0 110.74 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.54 ' O ' HG21 ' B' ' 47' ' ' ILE . 6.0 mp -86.45 -14.07 44.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.691 -174.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -82.63 -41.88 18.89 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.054 -0.658 . . . . 0.0 109.822 179.181 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.26 -25.17 63.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.635 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 63.5 t80 -74.85 -39.75 61.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.248 176.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.54 HG21 ' O ' ' B' ' 43' ' ' LEU . 23.2 pt -79.51 -31.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.465 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 83.4 mm-40 -55.42 -58.67 6.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 168.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.599 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 26.7 ttpt -78.41 1.01 23.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.001 -165.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.439 ' NE2' HD23 ' A' ' 36' ' ' LEU . 62.6 m80 -117.23 -1.36 11.84 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 117.965 -1.494 . . . . 0.0 114.049 164.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.442 HD13 ' OD1' ' A' ' 52' ' ' ASN . 3.4 mm? -122.17 -43.01 2.34 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.765 0.711 . . . . 0.0 111.304 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -125.37 -17.88 5.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -166.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.599 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 10.3 mtmt . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.305 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.425 ' HE1' ' OG1' ' A' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.04 -8.98 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -122.77 137.31 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.91 16.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.3 m -66.21 -13.21 59.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.188 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.55 -6.33 59.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -101.88 2.3 37.94 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.116 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.3 mt -123.96 -27.92 3.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.696 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . 0.459 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 23.1 mt-10 -146.71 151.72 37.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.37 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -132.31 145.48 34.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.431 ' HA ' HG12 ' C' ' 34' ' ' VAL . . . -64.62 133.05 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 110.764 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.613 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -57.03 165.06 1.97 Allowed Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.296 -0.865 . . . . 0.0 113.178 -170.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.613 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 82.3 Cg_exo -51.75 -28.33 29.86 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.066 2.51 . . . . 0.0 114.493 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -153.4 -31.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -166.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 43.89 2.19 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.931 -1.108 . . . . 0.0 113.852 -166.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.23 26.39 2.22 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.463 -0.79 . . . . 0.0 108.941 -177.668 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -147.72 -25.04 0.37 Allowed 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -164.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.95 -34.3 1.94 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.954 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.59 19.44 51.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.89 159.62 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 111.014 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' C' ' 24' ' ' THR . 28.2 mm -125.75 107.7 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 59.15 45.25 14.73 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.226 0.329 . . . . 0.0 111.161 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.63 5.66 18.87 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.466 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -118.71 145.77 38.41 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.247 -0.476 . . . . 0.0 111.007 -172.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -53.92 133.1 53.19 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.397 2.731 . . . . 0.0 112.221 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.6 t -85.58 137.46 36.31 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -170.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.402 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 48.6 Cg_exo -30.11 -53.35 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.958 1 C-N-CA 126.02 4.48 . . . . 0.0 116.191 -177.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.19 -1.59 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.47 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 15.3 p -133.2 103.73 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -80.37 51.39 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.65 4.84 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.213 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -113.09 -39.42 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 116.92 -39.31 2.71 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -114.16 163.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 112.198 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 11.5 pt -124.86 160.98 29.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.159 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.459 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -87.2 156.54 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -107.41 175.22 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.122 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.89 67.42 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . 0.424 ' HG3' HG21 ' B' ' 3' ' ' ILE . 14.8 tt0 -58.69 -43.99 90.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.766 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . 0.435 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.06 -30.65 74.09 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.998 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.4 m-85 -69.38 -32.85 72.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.703 -0.292 . . . . 0.0 110.977 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.406 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 22.5 m -69.82 -35.18 74.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.333 0.587 . . . . 0.0 110.789 173.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.532 ' O ' HG21 ' C' ' 47' ' ' ILE . 6.1 mp -86.49 -14.33 43.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.78 -174.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.11 -42.11 19.59 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.689 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.07 -25.25 63.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.0 0.428 . . . . 0.0 110.78 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 63.3 t80 -75.02 -40.04 60.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.331 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.532 HG21 ' O ' ' C' ' 43' ' ' LEU . 22.7 pt -79.4 -31.35 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.497 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 83.9 mm-40 -55.28 -58.7 6.62 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.713 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.612 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.7 ttpt -78.85 0.92 25.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.373 -0.83 . . . . 0.0 113.002 -165.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -116.75 -1.61 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.901 -1.52 . . . . 0.0 113.947 164.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.46 HD13 ' OD1' ' B' ' 52' ' ' ASN . 3.4 mm? -121.69 -45.32 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.992 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . 0.46 ' OD1' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.38 -17.28 6.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -166.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.612 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.338 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.91 -5.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.96 137.2 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.632 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 147.72 49.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.532 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.58 -18.88 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.527 -175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.07 -2.34 55.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.218 -174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -101.38 -21.25 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.42 -10.41 15.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 0.0 110.609 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 42.4 mt-10 -141.03 142.99 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.521 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.57 142.62 43.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.802 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.12 131.55 47.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.181 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.867 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 49.3 t -62.7 153.88 76.77 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.267 -169.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.867 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 Cg_exo -38.37 -36.46 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.585 2.856 . . . . 0.0 114.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HD3' HG23 ' A' ' 21' ' ' ILE . 63.1 tttp -143.64 -30.59 0.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -166.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 20.2 p -117.05 47.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -169.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.86 27.61 1.76 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -177.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -148.53 -26.82 0.32 Allowed 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -39.9 2.41 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.937 -169.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 94.49 14.28 51.06 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.966 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.6 pt-20 -153.01 164.54 37.8 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.485 ' O ' HG21 ' A' ' 24' ' ' THR . 16.9 mt -132.98 121.67 44.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 172.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.85 42.13 31.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 123.972 0.795 . . . . 0.0 110.757 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.2 -2.68 50.76 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.752 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.597 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -119.17 160.91 39.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 O-C-N 122.693 -0.298 . . . . 0.0 111.559 -173.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.597 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -57.09 137.59 82.55 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.018 2.479 . . . . 0.0 111.814 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 40.7 t -91.09 140.98 26.03 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -171.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 46.9 Cg_exo -27.42 -52.55 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.041 1 C-N-CA 126.274 4.649 . . . . 0.0 116.717 -178.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 -5.21 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -167.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -132.94 99.43 4.58 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.3 m -77.92 55.85 1.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.05 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.511 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 88.75 47.12 4.34 Favored Glycine 0 CA--C 1.504 -0.641 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.507 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -119.05 -37.38 3.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -172.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.42 -39.56 2.82 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.7 m -125.77 169.27 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.068 0.461 . . . . 0.0 111.989 -176.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 pt -129.25 161.07 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.843 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD21 HD21 ' A' ' 44' ' ' LEU . 4.6 mp -87.6 164.41 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 44.9 p -106.19 177.75 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.362 173.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.98 77.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.454 0.57 . . . . 0.0 111.7 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.88 -41.01 95.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.69 0.281 . . . . 0.0 110.812 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.18 73.78 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.575 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.526 ' HA ' HD21 ' A' ' 44' ' ' LEU . 6.3 m-85 -69.75 -33.02 71.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.779 -0.211 . . . . 0.0 110.919 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.06 -32.38 70.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.301 0.572 . . . . 0.0 110.537 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 47' ' ' ILE . 5.1 mp -86.41 -14.1 44.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.723 -177.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -83.59 -40.2 19.37 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.836 179.008 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.38 -23.13 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.437 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.431 ' CE1' ' HG3' ' C' ' 9' ' ' GLU . 1.6 t80 -73.83 -44.26 56.19 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.403 0.621 . . . . 0.0 110.015 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 43' ' ' LEU . 19.1 pt -79.84 -28.31 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.48 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.1 mm-40 -54.89 -58.69 6.57 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.443 0.64 . . . . 0.0 109.525 166.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.692 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 9.1 ttpt -78.96 -3.0 42.78 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.181 -165.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -117.74 -0.63 11.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 116.719 -1.992 . . . . 0.0 113.979 168.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' HB ' ' C' ' 47' ' ' ILE . 3.6 mm? -119.01 -33.34 4.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.389 0.541 . . . . 0.0 111.31 172.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.71 -30.77 2.75 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -167.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.692 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 8.6 mtmm . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.635 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.86 -4.31 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.507 0.67 . . . . 0.0 110.495 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 tt -130.07 137.26 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.18 147.72 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.534 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -61.82 -19.42 62.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.358 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -83.25 -1.66 53.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.299 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 -20.42 14.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -109.06 -10.22 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 110.627 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.433 ' HG3' ' CE1' ' C' ' 46' ' ' PHE . 42.5 mt-10 -141.04 143.17 34.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.599 174.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.86 142.75 42.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.027 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' B' ' 34' ' ' VAL . . . -65.48 133.4 51.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 1.009 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 50.9 t -71.14 154.67 93.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.701 -166.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 1.009 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.7 Cg_exo -36.24 -42.9 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 124.217 3.278 . . . . 0.0 114.797 -177.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.466 ' HD3' HG23 ' B' ' 21' ' ' ILE . 58.9 tttp -140.26 -26.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.693 -168.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' B' ' 12' ' ' CYS . 14.7 p -116.09 109.9 18.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.919 0.866 . . . . 0.0 111.561 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -152.84 15.45 0.56 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -177.124 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -148.49 -30.17 0.28 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.272 -159.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.91 -39.72 2.81 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.977 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.66 39.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.238 -0.982 . . . . 0.0 111.852 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 2.2 pt-20 -154.27 170.83 20.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.466 HG23 ' HD3' ' B' ' 14' ' ' LYS . 13.6 mt -138.41 122.52 21.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 171.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.55 43.44 30.27 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.075 0.859 . . . . 0.0 110.372 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.42 0.72 39.87 Favored Glycine 0 CA--C 1.522 0.515 0 CA-C-N 116.181 -0.463 . . . . 0.0 113.973 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.552 ' OG1' ' HD2' ' B' ' 25' ' ' PRO . 0.5 OUTLIER -120.0 159.97 44.83 Favored Pre-proline 0 C--N 1.319 -0.755 0 O-C-N 122.578 -0.366 . . . . 0.0 111.648 -172.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.552 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 19.2 Cg_endo -58.16 135.33 67.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.012 2.475 . . . . 0.0 111.54 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 53.0 t -91.58 140.76 25.33 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.505 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.571 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.4 Cg_exo -27.36 -53.51 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 126.34 4.693 . . . . 0.0 116.385 -177.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.93 -4.38 4.55 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -167.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 32.0 p -135.48 105.4 6.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -81.41 55.98 2.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.111 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 53.91 2.55 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.205 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -125.75 -42.69 1.9 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 116.97 -37.61 3.29 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.193 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.5 m -127.04 170.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.346 -0.502 . . . . 0.0 111.612 -175.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 pt -130.19 160.06 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.904 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.482 HD21 HD21 ' B' ' 44' ' ' LEU . 4.7 mp -86.94 164.51 16.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -170.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 52.7 p -106.0 176.63 5.1 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.345 173.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.23 74.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.327 0.512 . . . . 0.0 111.763 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.36 -41.42 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.42 75.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.671 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.526 ' HA ' HD21 ' B' ' 44' ' ' LEU . 6.4 m-85 -70.16 -32.68 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.456 0.169 . . . . 0.0 110.936 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.08 -32.66 70.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.437 0.637 . . . . 0.0 110.683 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.549 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.4 mp -86.15 -14.39 44.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.712 -177.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -83.03 -40.15 20.3 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.022 178.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.4 -23.39 62.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.331 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.406 ' CE1' ' HG3' ' A' ' 9' ' ' GLU . 1.5 t80 -73.67 -44.77 55.86 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.426 0.631 . . . . 0.0 110.044 174.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.549 HG22 ' O ' ' B' ' 43' ' ' LEU . 18.2 pt -79.51 -27.68 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.489 -173.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.0 mm-40 -55.45 -58.27 8.46 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 121.492 0.663 . . . . 0.0 109.491 166.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.655 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 9.6 ttpt -79.36 -3.53 46.7 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.169 -165.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -117.33 -0.79 11.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 116.656 -2.017 . . . . 0.0 113.906 169.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.421 HD22 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -119.15 -32.88 4.3 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.295 0.569 . . . . 0.0 111.424 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.07 -30.28 2.71 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.981 -166.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.655 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 6.9 mtmm . . . . . 0 C--O 1.247 0.938 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.786 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -105.99 -5.23 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.58 0.705 . . . . 0.0 110.31 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -128.36 136.96 58.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.624 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.13 149.0 48.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.486 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -63.0 -18.85 63.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.286 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -83.23 -1.13 52.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -101.35 -20.61 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.227 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 7.9 mp -109.21 -11.62 14.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . 0.431 ' HG3' ' CE1' ' A' ' 46' ' ' PHE . 43.3 mt-10 -139.71 143.47 37.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.658 174.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.79 142.5 43.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.183 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.465 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -63.94 131.53 47.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.044 0.45 . . . . 0.0 109.959 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.931 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 42.3 t -64.93 153.24 89.04 Favored Pre-proline 0 N--CA 1.448 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.361 -168.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.931 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -36.38 -37.85 0.29 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.933 3.089 . . . . 0.0 114.765 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . 0.405 ' HD3' HG23 ' C' ' 21' ' ' ILE . 53.7 tttp -143.18 -29.73 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.418 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 25.5 p -116.61 44.8 1.94 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -166.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.13 26.8 2.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.111 0.482 . . . . 0.0 109.988 -175.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.8 ptp180 -148.3 -22.97 0.34 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -164.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . 0.416 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -126.61 -39.85 1.97 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.143 -170.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . 0.514 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 94.7 14.26 50.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.073 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -154.76 164.17 39.19 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.447 ' O ' HG21 ' C' ' 24' ' ' THR . 9.3 mt -133.47 119.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 57.19 42.05 26.07 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.111 0.882 . . . . 0.0 110.395 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.72 1.69 54.62 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.209 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.59 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.6 OUTLIER -120.74 160.67 43.52 Favored Pre-proline 0 C--N 1.318 -0.777 0 O-C-N 122.702 -0.293 . . . . 0.0 111.659 -174.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . 0.59 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 18.1 Cg_endo -57.03 137.58 82.57 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.896 2.397 . . . . 0.0 111.463 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.562 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.4 t -93.45 140.41 23.17 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.671 -170.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.562 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 61.0 Cg_exo -27.84 -52.01 0.12 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.394 4.729 . . . . 0.0 116.721 -177.55 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.83 -6.16 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -168.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 15.5 p -130.96 99.52 4.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -78.16 55.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . 0.514 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.42 48.48 3.99 Favored Glycine 0 CA--C 1.504 -0.634 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.189 175.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -119.83 -37.85 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.85 -39.29 2.91 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.9 m -126.8 169.25 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.447 -0.443 . . . . 0.0 111.871 -176.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -128.57 161.49 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.831 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.458 HD21 HD21 ' C' ' 44' ' ' LEU . 4.7 mp -87.7 164.89 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -170.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 45.2 p -105.87 177.93 4.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.355 173.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.36 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.447 0.567 . . . . 0.0 111.839 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.59 -39.81 92.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.44 76.73 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.643 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.535 ' HA ' HD21 ' C' ' 44' ' ' LEU . 6.2 m-85 -70.07 -31.16 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.417 0.287 . . . . 0.0 111.083 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 15.3 m -71.8 -32.49 67.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.23 0.538 . . . . 0.0 110.526 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.529 ' O ' HG22 ' C' ' 47' ' ' ILE . 5.4 mp -85.95 -14.86 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.087 -177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -81.77 -40.91 21.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.871 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.0 -23.64 63.17 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.363 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' B' ' 9' ' ' GLU . 1.5 t80 -73.66 -44.52 56.53 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.439 0.637 . . . . 0.0 109.942 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.529 HG22 ' O ' ' C' ' 43' ' ' LEU . 18.4 pt -79.62 -28.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.476 -173.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -54.87 -58.74 6.38 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.508 0.67 . . . . 0.0 109.524 166.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.67 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 9.1 ttpt -79.09 -3.35 44.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.412 -164.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -117.62 -0.62 11.81 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 116.892 -1.923 . . . . 0.0 113.834 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.409 HD22 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -118.78 -33.19 4.31 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.581 0.628 . . . . 0.0 111.412 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.76 -31.36 2.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.777 -166.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.67 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 7.6 mtmm . . . . . 0 C--O 1.244 0.801 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.728 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.504 ' HE1' ' OG1' ' B' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m -106.18 5.89 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 122.166 0.984 . . . . 0.0 108.984 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.92 129.91 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.794 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.44 149.25 43.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.91 -15.14 40.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.757 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.57 -7.92 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.7 -15.76 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 111.078 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.1 -16.54 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.044 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.473 ' OE2' ' HG ' ' A' ' 36' ' ' LEU . 4.1 mt-10 -140.29 139.59 35.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.38 148.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.55 134.94 55.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.94 170.16 2.83 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.129 0.972 . . . . 0.0 113.505 -171.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.656 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 64.1 Cg_exo -47.22 -41.34 27.62 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.179 2.586 . . . . 0.0 113.801 173.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -147.11 -27.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 25.2 p -115.32 42.68 2.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 -168.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.56 26.95 1.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.384 0.611 . . . . 0.0 109.479 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' H ' ' H ' ' A' ' 18' ' ' ALA . 19.6 ptp180 -146.98 -21.16 0.41 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -166.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -133.69 -33.03 1.09 Allowed 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.656 -172.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.503 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 86.48 22.49 47.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.201 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -147.52 159.42 43.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 0.0 111.279 -175.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' A' ' 24' ' ' THR . 36.1 mm -128.07 106.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 173.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 60.41 50.31 6.13 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.616 0.572 . . . . 0.0 111.226 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.94 2.32 8.01 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.767 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -119.82 146.19 41.24 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.569 -0.316 . . . . 0.0 110.793 -168.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.99 130.09 37.58 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.128 2.552 . . . . 0.0 112.597 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.97 132.81 49.8 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -30.42 -62.56 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 126.205 4.603 . . . . 0.0 116.632 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.16 -3.0 10.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -164.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 29.1 p -123.24 -2.15 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 118.574 -1.25 . . . . 0.0 112.683 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.3 m 40.18 31.71 0.1 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 96.26 26.75 10.73 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.347 -0.93 . . . . 0.0 114.424 176.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 29' ' ' CYS . 8.0 mtmp? -100.08 -35.82 9.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.329 1.064 . . . . 0.0 110.356 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.43 -39.8 2.76 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.41 162.42 10.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 122.764 -0.257 . . . . 0.0 111.26 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.506 HG23 ' SG ' ' A' ' 12' ' ' CYS . 8.5 pt -124.79 158.7 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.491 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 3.5 mp -87.72 164.29 16.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.49 0.662 . . . . 0.0 112.494 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -105.8 179.65 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.524 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.5 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.5 0.591 . . . . 0.0 111.212 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -59.88 -44.16 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.653 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.12 72.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.933 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.518 ' HA ' HD21 ' A' ' 44' ' ' LEU . 4.8 m-85 -70.11 -32.39 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.533 ' OG1' ' HE1' ' C' ' 1' ' ' FME . 22.5 m -70.36 -31.78 69.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.599 0.714 . . . . 0.0 110.059 175.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' ILE . 6.2 mp -86.8 -17.1 34.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.259 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -84.42 -43.99 14.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.905 -176.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.69 -22.3 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.286 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.1 t80 -75.06 -41.31 59.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.351 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.472 HG21 HG23 ' B' ' 47' ' ' ILE . 20.9 pt -79.82 -29.36 12.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.66 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 76.6 mm-40 -54.12 -58.84 5.83 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.251 0.548 . . . . 0.0 109.954 168.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HA ' ' OXT' ' A' ' 53' ' ' LYS . 19.3 ttmt -76.77 -3.24 37.22 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.862 -164.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -116.95 -2.43 11.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.293 -1.363 . . . . 0.0 113.382 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -120.75 -34.69 3.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.955 -0.466 . . . . 0.0 111.463 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.41 -28.49 1.87 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.326 -166.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' OXT' ' HA ' ' A' ' 49' ' ' LYS . 24.7 mtmt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.015 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.521 ' HE1' ' OG1' ' C' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m -105.79 7.12 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.129 0.966 . . . . 0.0 108.872 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.05 129.8 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.664 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.91 42.71 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.11 0.481 . . . . 0.0 110.37 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -63.39 -14.22 47.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.75 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -81.06 -9.59 59.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.648 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -103.52 -13.9 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.916 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.03 -16.97 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 0.0 111.08 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.469 ' OE2' ' HG ' ' B' ' 36' ' ' LEU . 4.2 mt-10 -140.11 138.66 35.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.55 0.691 . . . . 0.0 109.316 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.23 147.94 32.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 134.35 53.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.131 0.491 . . . . 0.0 111.008 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.649 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.1 OUTLIER -61.69 171.19 1.48 Allowed Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.355 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 64.8 Cg_exo -47.25 -42.7 27.03 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.271 2.647 . . . . 0.0 113.692 172.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -146.31 -28.46 0.41 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -167.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.47 ' O ' ' HA2' ' B' ' 33' ' ' GLY . 31.8 p -114.72 41.54 2.34 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -89.93 28.02 1.46 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.223 0.535 . . . . 0.0 109.682 -178.349 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -147.39 -21.82 0.38 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -166.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.69 -33.37 1.08 Allowed 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.68 -172.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.445 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 86.12 24.18 41.86 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.485 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 1.8 pt-20 -146.55 160.66 41.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.233 0.539 . . . . 0.0 111.309 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB ' ' B' ' 24' ' ' THR . 39.7 mm -128.05 106.65 15.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 58.51 54.41 5.52 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.718 0.636 . . . . 0.0 110.738 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 10.18 27.2 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.222 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -127.88 145.98 57.21 Favored Pre-proline 0 C--N 1.304 -1.397 0 CA-C-N 114.976 -0.612 . . . . 0.0 111.522 -167.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 130.6 39.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.276 2.65 . . . . 0.0 112.372 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.15 132.47 43.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.147 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -29.76 -63.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 1 C-N-CA 126.149 4.566 . . . . 0.0 116.493 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.07 -0.66 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -165.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.465 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 31.2 p -122.61 -2.38 8.9 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.432 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m 37.52 32.99 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 95.37 26.91 11.33 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.385 -0.912 . . . . 0.0 114.399 175.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' B' ' 29' ' ' CYS . 8.0 mtmp? -100.6 -35.59 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.111 0.955 . . . . 0.0 110.4 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.18 -39.53 2.86 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.422 HG13 ' HA ' ' B' ' 11' ' ' ALA . 25.1 m -112.43 162.76 10.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 122.708 -0.289 . . . . 0.0 111.197 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.649 HG23 ' SG ' ' B' ' 12' ' ' CYS . 7.1 pt -124.41 158.87 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.504 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 3.4 mp -87.83 163.87 16.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.546 0.689 . . . . 0.0 112.351 -172.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.56 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.516 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.81 79.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.5 0.591 . . . . 0.0 111.433 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -59.91 -44.24 94.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 110.599 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.83 -31.08 72.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.976 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.527 ' HA ' HD21 ' B' ' 44' ' ' LEU . 4.5 m-85 -70.12 -32.57 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.154 0.181 . . . . 0.0 111.41 178.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.504 ' OG1' ' HE1' ' A' ' 1' ' ' FME . 23.6 m -70.44 -31.71 69.0 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.502 0.668 . . . . 0.0 109.939 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.445 ' O ' HG22 ' B' ' 47' ' ' ILE . 6.2 mp -86.64 -16.72 35.76 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.213 -176.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -84.71 -44.01 13.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.074 -176.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.45 -22.47 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.259 0.552 . . . . 0.0 110.206 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.476 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -74.9 -41.33 59.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.33 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 47' ' ' ILE . 21.6 pt -79.96 -29.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.728 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.1 mm-40 -54.5 -58.76 6.22 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 121.032 0.444 . . . . 0.0 110.053 168.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.493 ' HA ' ' OXT' ' B' ' 53' ' ' LYS . 18.7 ttmt -76.89 -3.39 38.39 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.905 -165.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -117.05 -1.95 11.81 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 118.253 -1.379 . . . . 0.0 113.5 170.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.418 HD23 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.06 -36.65 3.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 111.577 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.406 ' HB2' HD13 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -128.45 -29.19 2.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.094 -166.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.493 ' OXT' ' HA ' ' B' ' 49' ' ' LYS . 25.2 mtmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.617 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.533 ' HE1' ' OG1' ' A' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m -105.93 8.45 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.889 0.852 . . . . 0.0 109.041 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.41 129.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.698 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.55 148.99 43.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.084 0.469 . . . . 0.0 110.49 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -61.65 -15.86 43.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.044 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.77 -8.92 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.84 -14.34 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.89 -17.28 12.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 111.035 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . 0.476 ' OE2' ' HG ' ' C' ' 36' ' ' LEU . 4.0 mt-10 -139.75 139.45 36.49 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.96 148.41 31.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.462 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -64.97 135.23 55.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.073 0.463 . . . . 0.0 110.951 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.61 ' SG ' HG23 ' C' ' 35' ' ' ILE . 0.1 OUTLIER -61.34 170.95 1.41 Allowed Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -171.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 65.1 Cg_exo -47.11 -41.61 26.73 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.289 2.659 . . . . 0.0 113.84 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -147.76 -29.64 0.33 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -166.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 15.0 p -115.17 41.65 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -165.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.493 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.41 27.68 1.64 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.305 0.574 . . . . 0.0 109.801 -178.137 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -146.44 -18.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -166.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.06 -34.75 0.79 Allowed 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.673 -171.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . 0.457 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 87.49 22.76 42.42 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.688 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -146.53 159.49 43.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.201 0.501 . . . . 0.0 111.501 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.614 ' O ' ' HB ' ' C' ' 24' ' ' THR . 37.1 mm -127.14 105.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.07 54.02 5.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.567 0.542 . . . . 0.0 110.838 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 9.77 26.24 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.1 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.614 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.9 m -126.98 144.25 49.68 Favored Pre-proline 0 C--N 1.303 -1.421 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.971 -166.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.23 130.38 39.41 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.261 2.641 . . . . 0.0 112.43 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.29 133.51 42.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -169.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -30.63 -63.59 0.1 Allowed 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 126.056 4.504 . . . . 0.0 116.494 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.7 -1.26 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -164.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.486 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 30.8 p -122.31 -2.33 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.569 -1.253 . . . . 0.0 112.555 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m 40.29 30.24 0.07 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.3 31.49 7.95 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.459 -0.876 . . . . 0.0 114.089 176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' C' ' 29' ' ' CYS . 7.8 mtmp? -103.67 -36.29 7.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 117.794 0.797 . . . . 0.0 110.357 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.63 -39.46 2.88 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -176.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -112.89 162.32 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 122.634 -0.333 . . . . 0.0 111.295 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.61 HG23 ' SG ' ' C' ' 12' ' ' CYS . 7.4 pt -124.71 158.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.481 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.476 ' HG ' ' OE2' ' C' ' 9' ' ' GLU . 3.5 mp -87.98 164.32 15.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.579 0.704 . . . . 0.0 112.574 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 80.7 p -105.82 178.48 4.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.561 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.98 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.529 0.604 . . . . 0.0 111.271 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -59.4 -45.6 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.616 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.76 -31.04 75.07 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.939 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.525 ' HA ' HD21 ' C' ' 44' ' ' LEU . 4.4 m-85 -70.55 -31.04 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.521 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 23.1 m -71.14 -32.15 68.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.584 0.707 . . . . 0.0 110.013 174.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.436 ' O ' HG22 ' C' ' 47' ' ' ILE . 6.2 mp -86.38 -17.46 34.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 -176.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -83.97 -43.85 14.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.148 -176.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -71.65 -22.38 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.277 0.561 . . . . 0.0 110.159 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.504 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.8 t80 -75.05 -41.3 59.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.283 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.452 HG23 HG21 ' B' ' 47' ' ' ILE . 21.0 pt -79.99 -28.75 12.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.712 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 77.4 mm-40 -54.87 -58.63 6.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 121.132 0.492 . . . . 0.0 110.069 168.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.446 ' HA ' ' OXT' ' C' ' 53' ' ' LYS . 18.6 ttmt -77.03 -3.31 38.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.964 -165.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -116.87 -2.54 11.79 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.232 -1.387 . . . . 0.0 113.296 170.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.412 HD21 ' O ' ' C' ' 47' ' ' ILE . 3.6 mm? -120.84 -36.13 3.22 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.184 0.516 . . . . 0.0 111.629 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.53 -28.17 2.31 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.227 -166.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.446 ' OXT' ' HA ' ' C' ' 49' ' ' LYS . 24.3 mtmt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.419 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.17 3.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.664 0.745 . . . . 0.0 109.888 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.8 140.58 42.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.744 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.83 7.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.179 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -60.64 -23.05 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.78 -5.01 56.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -101.73 4.88 41.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 110.669 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.7 mt -131.69 -33.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -135.87 143.53 45.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.17 141.99 44.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.182 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.91 132.93 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.11 0.481 . . . . 0.0 111.425 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.798 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.4 t -66.21 162.87 43.77 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.404 1.082 . . . . 0.0 111.626 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.798 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 42.4 Cg_exo -41.41 -40.68 4.89 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.622 2.881 . . . . 0.0 116.066 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HD3' HG23 ' A' ' 21' ' ' ILE . 64.3 tttp -143.56 -36.73 0.36 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -156.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.7 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -115.74 34.11 5.12 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 120.268 1.394 . . . . 0.0 112.649 -161.085 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.798 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 13.4 mm-40 -98.62 42.6 1.09 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.19 1.472 . . . . 0.0 108.875 -164.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -147.1 -27.31 0.39 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.37 -2.65 . . . . 0.0 106.564 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.88 -35.95 3.77 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.42 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.85 19.84 55.14 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.55 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.7 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 5.3 pt-20 -158.76 156.21 29.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.561 ' O ' ' HB ' ' A' ' 24' ' ' THR . 51.7 mt -128.14 113.23 29.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 58.58 45.31 16.38 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.758 0.661 . . . . 0.0 111.563 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.89 8.6 35.46 Favored Glycine 0 CA--C 1.503 -0.673 0 C-N-CA 119.85 -1.166 . . . . 0.0 111.991 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -120.25 146.91 43.73 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.107 -0.546 . . . . 0.0 111.616 -173.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.58 137.8 73.94 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.307 2.671 . . . . 0.0 111.838 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.1 t -89.05 131.4 41.18 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.368 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -38.5 -52.73 1.94 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 125.234 3.956 . . . . 0.0 115.373 -172.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.45 -15.71 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.847 -167.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 24.3 p -135.87 111.74 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.645 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -82.53 49.72 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.35 60.21 1.12 Allowed Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.075 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -123.66 -50.87 1.84 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.38 0.609 . . . . 0.0 109.433 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.6 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . 120.97 -36.15 3.43 Favored Glycine 0 N--CA 1.434 -1.497 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -167.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.12 165.68 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.279 -1.13 . . . . 0.0 113.323 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 pt -124.02 169.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.687 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD22 ' CZ ' ' B' ' 46' ' ' PHE . 2.6 mp -87.4 153.59 21.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -107.18 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.28 64.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -52.08 -48.76 64.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.225 0.536 . . . . 0.0 110.518 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.23 -29.02 73.09 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.798 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -69.11 -35.81 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.569 -0.371 . . . . 0.0 111.661 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -69.98 -30.44 67.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.616 0.722 . . . . 0.0 110.144 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.9 mp -86.5 -17.72 33.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.622 -175.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -80.54 -42.98 21.44 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.957 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.5 -22.88 62.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.708 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' C' ' 36' ' ' LEU . 71.0 t80 -76.2 -41.06 50.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.395 174.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.473 HG22 HG21 ' B' ' 47' ' ' ILE . 20.2 pt -79.98 -28.23 12.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.393 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.2 mm-40 -55.45 -57.03 13.59 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.675 0.75 . . . . 0.0 109.232 165.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.8 ttmt -78.32 -7.12 56.88 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.245 -1.343 . . . . 0.0 112.962 -163.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.53 -0.9 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 117.778 -1.569 . . . . 0.0 114.142 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.4 mm? -117.96 -42.27 2.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.478 0.656 . . . . 0.0 110.874 171.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -116.63 -31.91 5.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.199 -165.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.1 mtmt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.377 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.419 ' SD ' ' HB3' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.64 6.18 9.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.689 0.756 . . . . 0.0 109.82 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -139.37 140.69 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.765 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.16 171.4 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.256 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.19 -23.43 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.458 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.03 -4.36 54.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -101.4 2.05 39.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.486 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.5 mt -128.67 -34.1 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.924 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -135.58 142.43 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.429 0.633 . . . . 0.0 110.884 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.26 141.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 131.83 47.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.232 0.539 . . . . 0.0 111.189 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.849 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 1.7 t -65.49 163.56 32.49 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.754 1.221 . . . . 0.0 112.093 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.849 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -41.47 -42.31 5.62 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.518 2.812 . . . . 0.0 116.221 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -144.8 -34.42 0.36 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -156.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.713 ' HB2' ' O ' ' B' ' 20' ' ' GLU . 0.8 OUTLIER -114.79 33.01 5.62 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 120.466 1.484 . . . . 0.0 113.017 -161.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.807 ' CD ' ' HB3' ' B' ' 12' ' ' CYS . 13.3 mm-40 -100.54 42.65 1.1 Allowed 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 123.461 1.601 . . . . 0.0 109.258 -163.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' B' ' 18' ' ' ALA . 2.9 ptm180 -147.21 -24.37 0.39 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.42 -2.627 . . . . 0.0 106.782 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -120.45 -36.43 3.21 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.532 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.14 57.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.989 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.713 ' O ' ' HB2' ' B' ' 15' ' ' CYS . 6.4 pt-20 -155.17 157.05 36.8 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.271 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.573 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 41.4 mt -129.84 113.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 57.41 46.42 18.23 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.056 0.848 . . . . 0.0 111.369 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.427 ' HA2' ' OE1' ' B' ' 20' ' ' GLU . . . 63.92 12.12 47.15 Favored Glycine 0 CA--C 1.507 -0.435 0 C-N-CA 119.864 -1.16 . . . . 0.0 112.006 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -124.77 144.72 47.49 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 114.706 -0.747 . . . . 0.0 111.425 -171.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.49 134.01 55.82 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.379 2.72 . . . . 0.0 112.059 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.527 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 42.8 t -84.39 131.08 51.47 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.484 -171.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -38.02 -54.11 1.44 Allowed 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 124.943 3.762 . . . . 0.0 115.424 -174.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 -15.41 14.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.35 -168.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 15.7 p -137.47 114.23 10.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -82.11 48.31 1.23 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.61 61.39 1.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.424 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.416 ' HD3' ' HG2' ' C' ' 49' ' ' LYS . 51.6 mttm -123.83 -50.52 1.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.502 0.668 . . . . 0.0 109.226 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' B' ' 16' ' ' GLU . . . 120.77 -36.39 3.37 Favored Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -167.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -130.09 165.63 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 121.234 -1.156 . . . . 0.0 113.421 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 pt -123.93 169.66 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.756 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.443 HD23 HD23 ' B' ' 44' ' ' LEU . 2.6 mp -87.77 153.0 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -172.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -107.02 176.81 5.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.89 -48.02 67.48 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -51.99 -49.13 63.89 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.261 0.553 . . . . 0.0 110.643 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.29 -28.99 73.04 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.914 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -69.14 -35.4 76.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.517 -0.402 . . . . 0.0 111.702 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.631 0.729 . . . . 0.0 110.203 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.441 ' O ' HG23 ' B' ' 47' ' ' ILE . 4.7 mp -86.15 -17.84 33.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.587 -175.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.629 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -80.44 -43.04 21.61 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.098 -179.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.51 -22.76 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 110.607 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.435 ' CZ ' HD22 ' A' ' 36' ' ' LEU . 72.0 t80 -76.12 -41.35 50.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.474 HG12 ' HA ' ' B' ' 44' ' ' LEU . 19.8 pt -79.83 -28.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.416 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.8 mm-40 -55.93 -56.18 23.79 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 166.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.521 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.5 ttmt -78.52 -7.61 57.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.864 -163.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.36 -1.08 11.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 117.69 -1.604 . . . . 0.0 114.297 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.4 mm? -117.26 -43.42 2.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.541 0.686 . . . . 0.0 110.549 170.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.3 -33.74 5.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.114 -165.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.521 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--O 1.244 0.767 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.693 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.95 2.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.782 0.801 . . . . 0.0 110.023 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -136.08 140.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.822 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 172.65 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.383 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -61.24 -23.92 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.202 0.525 . . . . 0.0 110.881 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.18 -3.68 52.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.013 -174.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.48 2.98 39.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.981 0.42 . . . . 0.0 110.419 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.85 -34.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.83 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -135.57 143.79 45.84 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.735 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.76 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.075 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 133.92 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.177 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.847 ' HB3' ' CD ' ' C' ' 16' ' ' GLU . 2.6 t -65.13 163.12 33.32 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.434 1.094 . . . . 0.0 111.684 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 31.8 Cg_exo -41.45 -42.28 5.57 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.518 2.812 . . . . 0.0 116.029 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -143.21 -35.9 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 -156.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' C' ' 20' ' ' GLU . 1.1 p -115.21 34.06 5.09 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 120.606 1.548 . . . . 0.0 112.912 -160.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.847 ' CD ' ' HB3' ' C' ' 12' ' ' CYS . 12.5 mm-40 -99.91 43.52 1.06 Allowed 'General case' 0 C--N 1.28 -2.445 0 CA-C-O 123.255 1.502 . . . . 0.0 109.042 -163.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -147.24 -26.16 0.39 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 111.563 -2.562 . . . . 0.0 106.689 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.34 -35.91 3.48 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.608 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.85 17.43 56.44 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.076 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.706 ' O ' ' HB2' ' C' ' 15' ' ' CYS . 4.4 pt-20 -155.76 157.48 36.6 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.112 0.482 . . . . 0.0 110.419 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.604 ' O ' ' HB ' ' C' ' 24' ' ' THR . 38.3 mt -129.53 112.82 25.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 57.79 47.76 14.9 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.077 0.86 . . . . 0.0 111.257 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 11.05 41.43 Favored Glycine 0 CA--C 1.508 -0.4 0 C-N-CA 120.311 -0.947 . . . . 0.0 111.903 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.604 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.3 m -123.97 144.14 44.25 Favored Pre-proline 0 C--N 1.308 -1.218 0 CA-C-N 114.736 -0.732 . . . . 0.0 111.294 -170.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -53.89 135.55 63.51 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.084 2.523 . . . . 0.0 111.958 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.3 t -87.32 130.09 48.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.77 -170.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -36.89 -52.66 1.27 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 125.219 3.946 . . . . 0.0 115.657 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.15 -18.91 13.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.214 -168.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 31.5 p -131.59 107.56 8.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -80.59 54.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.091 0.472 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 57.59 1.63 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.518 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -122.13 -49.39 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.466 0.65 . . . . 0.0 109.755 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.596 ' O ' ' HB3' ' C' ' 16' ' ' GLU . . . 120.03 -36.41 3.45 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.99 166.07 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.305 -1.115 . . . . 0.0 113.118 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 29.6 pt -123.98 170.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.654 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.437 HD23 HD23 ' C' ' 44' ' ' LEU . 2.6 mp -87.79 153.66 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.516 0.674 . . . . 0.0 112.798 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -107.38 176.37 5.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.188 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . 0.419 ' HB3' ' SD ' ' B' ' 1' ' ' FME . . . -51.92 -49.02 63.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -51.51 -48.94 62.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.202 0.525 . . . . 0.0 110.417 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.29 -29.48 73.2 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.84 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.545 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.9 m-85 -69.05 -35.24 76.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.56 -0.376 . . . . 0.0 111.59 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.4 m -70.41 -31.01 68.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.627 0.727 . . . . 0.0 110.217 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.428 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.7 mp -86.28 -17.46 34.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.544 -175.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -80.52 -43.09 21.32 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.997 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.6 -22.7 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.632 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.434 ' CZ ' HD22 ' B' ' 36' ' ' LEU . 71.7 t80 -76.06 -41.37 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.514 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.47 HG22 HG21 ' A' ' 47' ' ' ILE . 20.4 pt -79.75 -28.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.442 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.4 mm-40 -55.82 -56.26 22.69 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.688 0.756 . . . . 0.0 109.296 166.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.522 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 31.7 ttmt -78.2 -8.58 58.5 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.852 -163.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.86 -1.26 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.718 -1.593 . . . . 0.0 114.18 173.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.4 mm? -117.08 -42.39 2.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.771 170.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -116.09 -32.82 5.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.141 -165.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.522 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.5 mtmt . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.887 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.73 -14.67 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.198 0.523 . . . . 0.0 110.805 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.12 135.98 54.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 148.41 46.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.861 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -12.9 58.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.452 -175.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.28 -3.54 52.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -103.81 -16.31 15.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.67 -22.57 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.402 . . . . 0.0 111.205 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -126.05 127.05 45.24 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.407 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.57 141.6 44.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.853 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 16' ' ' GLU . . . -63.02 130.04 42.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.0 110.677 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.889 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 43.6 t -63.61 158.84 56.76 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -169.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.889 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 33.4 Cg_exo -37.98 -39.43 0.89 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.427 2.751 . . . . 0.0 115.171 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -145.88 -26.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 15.2 p -118.66 47.26 1.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -172.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.58 23.75 2.91 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 122.185 -0.322 . . . . 0.0 111.465 -175.106 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' H ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -147.93 -15.63 0.36 Allowed 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -115.63 -39.85 3.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.094 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.29 15.67 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.486 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.2 pt-20 -155.54 161.77 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.649 -0.324 . . . . 0.0 110.357 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.33 121.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 55.36 42.03 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.76 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.04 10.81 7.45 Favored Glycine 0 CA--C 1.51 -0.257 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.857 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.77 145.41 39.33 Favored Pre-proline 0 N--CA 1.437 -1.111 0 C-N-CA 122.836 0.454 . . . . 0.0 110.444 -172.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.98 126.08 21.07 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.09 2.527 . . . . 0.0 112.291 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -78.28 136.42 60.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.064 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -27.47 -57.34 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.987 1 C-N-CA 126.524 4.816 . . . . 0.0 116.631 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.05 -7.1 7.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.13 0.49 . . . . 0.0 111.823 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -131.53 93.41 3.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 p -75.93 53.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.2 0.524 . . . . 0.0 112.076 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 97.07 47.89 2.16 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.341 173.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -116.0 -47.63 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.773 0.796 . . . . 0.0 108.919 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 119.22 -39.2 2.59 Favored Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.74 161.11 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.819 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 pt -124.93 169.62 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.937 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD22 HD21 ' A' ' 44' ' ' LEU . 2.9 mp -88.46 161.74 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -174.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.3 p -105.74 -177.09 3.26 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.288 172.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.7 89.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.739 0.7 . . . . 0.0 111.269 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.18 -39.11 85.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.423 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.78 73.67 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.823 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' A' ' 44' ' ' LEU . 4.7 m-85 -69.96 -34.1 72.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.4 m -69.84 -31.87 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.465 0.65 . . . . 0.0 110.377 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.1 mp -85.48 -21.48 28.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.834 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.673 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -78.32 -44.96 23.84 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.681 -176.607 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.48 -21.26 61.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.486 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.472 ' CZ ' HD21 ' C' ' 36' ' ' LEU . 63.7 t80 -75.75 -43.34 47.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.24 173.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 43' ' ' LEU . 18.6 pt -79.47 -26.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.312 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.3 mm-40 -57.87 -59.06 5.82 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 165.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -77.54 -3.97 43.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.364 -165.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -116.8 -1.85 11.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 118.147 -1.421 . . . . 0.0 113.767 169.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.5 mm? -120.67 -55.46 2.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.376 0.608 . . . . 0.0 111.027 172.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -106.39 -22.97 12.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.866 -168.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 19.3 mtmt . . . . . 0 C--O 1.245 0.85 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -105.39 -14.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.296 0.57 . . . . 0.0 110.789 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.72 135.74 56.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.696 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.32 45.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -14.49 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.406 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.51 -2.71 50.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.325 -176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -104.16 -17.55 14.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.31 -22.36 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 111.285 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -125.95 127.75 46.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.436 176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.07 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.942 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.493 ' HB3' ' CB ' ' B' ' 16' ' ' GLU . . . -63.43 129.71 41.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.934 0.397 . . . . 0.0 110.558 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.94 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 44.2 t -64.58 158.06 69.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.808 0.843 . . . . 0.0 113.198 -168.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.94 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 33.9 Cg_exo -37.33 -37.17 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.515 2.81 . . . . 0.0 115.696 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -148.66 -24.99 0.32 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -166.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.59 44.46 2.27 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -171.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.599 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.14 22.95 3.03 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 122.34 -0.225 . . . . 0.0 111.247 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.52 -15.7 0.38 Allowed 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -176.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.94 -37.85 4.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.286 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.464 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 87.36 15.92 61.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.308 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -156.58 160.96 39.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 13.7 mt -141.69 123.15 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 53.7 42.06 31.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.714 0.634 . . . . 0.0 110.878 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.99 13.58 8.83 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.727 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.9 144.81 41.94 Favored Pre-proline 0 N--CA 1.433 -1.294 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.723 -173.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.78 124.22 15.72 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.099 2.532 . . . . 0.0 112.033 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.409 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 44.1 t -77.15 136.59 65.49 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.818 -169.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 62.3 Cg_exo -28.21 -56.25 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.046 1 C-N-CA 126.412 4.741 . . . . 0.0 116.582 -177.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.13 -6.92 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -168.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.1 p -130.31 93.61 3.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -76.17 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.289 0.566 . . . . 0.0 111.953 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 96.66 50.85 1.76 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.975 174.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -119.02 -47.23 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 119.04 -38.82 2.72 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.4 161.75 12.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.168 0.509 . . . . 0.0 111.869 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.41 169.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.012 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.473 HD21 ' CZ ' ' C' ' 46' ' ' PHE . 2.8 mp -88.29 160.96 17.42 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -105.45 -176.44 3.08 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.245 173.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.66 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.766 0.712 . . . . 0.0 111.161 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.19 -40.07 88.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 110.448 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.41 -32.64 75.79 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.787 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.536 ' HA ' HD21 ' B' ' 44' ' ' LEU . 4.3 m-85 -70.22 -33.06 71.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -70.3 -32.39 70.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.526 0.679 . . . . 0.0 110.421 176.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.444 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.1 mp -85.37 -21.15 28.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.92 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -78.52 -44.47 24.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.714 -176.602 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.47 -21.77 61.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.479 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD21 ' A' ' 36' ' ' LEU . 63.7 t80 -75.57 -42.92 50.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.214 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' B' ' 44' ' ' LEU . 18.8 pt -79.53 -26.59 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.317 -176.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 85.2 mm-40 -57.54 -59.22 5.49 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 165.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.462 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 2.4 ttmp? -77.59 -4.0 43.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.349 -164.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.65 -1.49 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.124 -1.431 . . . . 0.0 113.789 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.427 HD22 ' O ' ' B' ' 47' ' ' ILE . 3.5 mm? -120.63 -56.56 1.95 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.45 0.643 . . . . 0.0 110.857 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.43 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.3 OUTLIER -105.98 -21.99 13.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.748 -167.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.096 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.53 -11.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.519 0.676 . . . . 0.0 110.873 -175.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -119.94 135.26 60.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.32 44.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.721 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -12.87 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.501 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.46 -6.39 58.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.166 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -103.38 -14.73 16.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.2 -22.25 9.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.088 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -126.23 128.25 46.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.29 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -126.51 141.89 44.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.93 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.464 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -63.31 129.52 40.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.486 -178.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.93 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 53.3 t -63.23 158.77 53.97 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.689 -169.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.93 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 34.0 Cg_exo -37.52 -39.07 0.64 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.515 2.81 . . . . 0.0 115.005 177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -146.28 -26.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -165.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.48 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 27.8 p -117.75 43.97 2.27 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -169.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.31 22.45 3.34 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -172.515 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.02 -10.29 0.44 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.4 -41.42 2.61 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.894 -173.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.16 16.38 55.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.779 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.58 161.82 40.77 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.676 -0.308 . . . . 0.0 110.304 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.48 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 13.0 mt -142.29 122.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 55.47 41.1 31.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.774 -174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.77 11.11 9.67 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.689 -176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 144.45 37.19 Favored Pre-proline 0 N--CA 1.435 -1.219 0 CA-C-N 115.228 -0.486 . . . . 0.0 110.305 -172.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.58 128.17 29.23 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.066 2.511 . . . . 0.0 112.059 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.421 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 35.4 t -79.83 135.24 55.88 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.639 -169.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.421 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 62.7 Cg_exo -28.49 -55.19 0.14 Allowed 'Trans proline' 0 C--N 1.357 0.985 1 C-N-CA 126.326 4.684 . . . . 0.0 117.029 -176.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.8 -8.52 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.084 0.468 . . . . 0.0 111.636 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 29.3 p -130.14 91.24 3.08 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.5 p -74.3 53.12 0.5 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 96.9 49.21 1.96 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.012 174.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -117.88 -46.28 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.84 -39.27 2.66 Favored Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -172.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.91 161.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.059 0.457 . . . . 0.0 111.934 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 21.5 pt -124.93 169.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.943 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.472 HD21 ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mp -88.38 161.22 17.21 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -105.6 -178.6 3.7 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.33 172.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.57 82.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.676 0.671 . . . . 0.0 111.487 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.97 -40.07 87.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.826 0.346 . . . . 0.0 110.436 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.51 75.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.835 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' C' ' 44' ' ' LEU . 4.7 m-85 -69.91 -34.49 73.57 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.291 0.236 . . . . 0.0 111.486 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -69.69 -32.0 70.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.501 0.667 . . . . 0.0 110.382 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.45 ' O ' HG12 ' C' ' 47' ' ' ILE . 6.3 mp -85.38 -21.43 28.85 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.911 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.65 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -78.34 -44.71 24.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.745 -176.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.61 -21.28 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.497 . . . . 0.0 110.535 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.473 ' CZ ' HD21 ' B' ' 36' ' ' LEU . 63.5 t80 -75.83 -43.41 46.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.257 173.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.452 HG12 ' HA ' ' C' ' 44' ' ' LEU . 18.4 pt -79.3 -26.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.279 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -57.64 -59.22 5.53 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 165.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.4 ttmp? -77.61 -3.69 42.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.303 -165.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -116.76 -1.21 12.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 118.278 -1.369 . . . . 0.0 113.752 169.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.43 HD12 ' OD1' ' B' ' 52' ' ' ASN . 3.4 mm? -122.0 -55.88 1.86 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.365 0.603 . . . . 0.0 110.901 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . 0.431 HD21 ' HA ' ' C' ' 52' ' ' ASN . 0.2 OUTLIER -106.26 -21.32 13.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.982 -167.611 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.448 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.291 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.483 ' SD ' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -106.27 1.51 10.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.692 0.758 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.441 HG21 ' HG3' ' B' ' 39' ' ' GLN . 14.3 tt -126.64 137.09 58.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.679 -177.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.66 145.25 49.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -62.27 -15.9 50.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.694 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.35 -2.04 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.496 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.3 -15.69 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.04 -13.56 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -132.26 133.74 44.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.156 173.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.51 140.27 49.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' HG11 ' A' ' 34' ' ' VAL . . . -64.35 136.12 56.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.883 0.373 . . . . 0.0 110.504 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.578 ' SG ' HG22 ' A' ' 35' ' ' ILE . 1.1 m -60.14 171.33 0.95 Allowed Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -45.56 -42.69 18.49 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.405 2.736 . . . . 0.0 113.522 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.84 -1.22 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -173.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.5 p -115.52 39.3 3.01 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 117.673 -1.611 . . . . 0.0 114.023 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -91.36 35.98 0.93 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.83 -16.75 0.41 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.07 -26.27 2.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.396 -170.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 78.05 33.8 39.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 114.222 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.91 160.15 43.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.31 0.555 . . . . 0.0 111.492 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' O ' ' HB ' ' A' ' 24' ' ' THR . 33.3 mm -123.37 99.93 7.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 63.69 51.85 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.756 0.66 . . . . 0.0 111.288 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.54 6.51 6.29 Favored Glycine 0 CA--C 1.51 -0.232 0 C-N-CA 120.283 -0.96 . . . . 0.0 112.757 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -119.42 146.13 40.35 Favored Pre-proline 0 N--CA 1.438 -1.065 0 CA-C-N 115.602 -0.299 . . . . 0.0 110.358 -171.351 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.24 129.7 35.91 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.427 2.752 . . . . 0.0 112.468 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 47.7 t -83.05 136.59 43.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.148 -172.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 54.1 Cg_exo -32.17 -57.57 0.26 Allowed 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 125.586 4.191 . . . . 0.0 115.861 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.49 -8.88 9.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 111.981 -167.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 14.5 p -129.07 95.22 4.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -75.3 51.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.404 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 96.53 50.5 1.83 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.828 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -118.28 -47.04 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 118.53 -38.05 3.02 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -172.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -117.75 164.58 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 111.439 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.578 HG22 ' SG ' ' A' ' 12' ' ' CYS . 11.4 pt -125.12 166.65 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.005 173.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD21 HD21 ' A' ' 44' ' ' LEU . 4.5 mp -88.51 163.87 15.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.51 0.672 . . . . 0.0 112.506 -174.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 82.7 p -105.44 177.15 4.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.371 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -56.73 -44.8 81.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.596 0.634 . . . . 0.0 111.546 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.403 ' HG3' HG21 ' C' ' 3' ' ' ILE . 53.6 tt0 -61.02 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.891 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.99 75.17 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.882 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.542 ' HA ' HD21 ' A' ' 44' ' ' LEU . 4.2 m-85 -70.2 -33.66 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.541 0.21 . . . . 0.0 111.227 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.1 m -68.94 -31.94 71.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.532 0.682 . . . . 0.0 110.054 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' HG22 ' A' ' 47' ' ' ILE . 5.4 mp -87.4 -11.09 50.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -87.64 -43.34 12.03 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.154 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.38 -23.71 61.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.148 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -74.02 -41.78 61.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.147 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.483 HG21 HG23 ' B' ' 47' ' ' ILE . 18.8 pt -79.55 -27.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.984 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.4 mm-40 -55.03 -58.66 6.74 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.476 0.655 . . . . 0.0 109.866 168.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 32.4 ttmt -78.51 -2.24 37.71 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.858 -1.065 . . . . 0.0 113.107 -164.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -117.57 -2.71 11.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 117.797 -1.561 . . . . 0.0 113.904 170.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.6 mm? -118.49 -38.99 3.06 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 173.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.35 -30.18 4.01 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.045 -166.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.588 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 26.2 mtmt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.316 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.524 ' SD ' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.73 1.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 0.0 109.782 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.404 HG21 ' HG3' ' C' ' 39' ' ' GLN . 14.6 tt -127.74 137.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.754 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.69 146.19 48.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -62.18 -16.7 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.185 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.88 -1.27 51.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.53 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.28 -17.09 14.97 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.67 -13.62 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.39 133.58 44.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.7 141.06 47.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.086 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.451 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 135.14 55.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.286 0.565 . . . . 0.0 110.536 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.493 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -60.55 172.28 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -171.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 56.3 Cg_exo -46.69 -42.81 23.9 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.989 2.459 . . . . 0.0 113.182 172.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.46 0.71 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 21.0 p -116.4 41.8 2.56 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.713 1.597 . . . . 0.0 113.795 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.5 OUTLIER -90.71 36.74 0.9 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.747 -176.483 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.62 -19.16 0.37 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.12 -24.41 3.43 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.463 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 76.55 34.72 43.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.687 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 8.1 pt-20 -153.23 159.96 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.505 0.669 . . . . 0.0 111.427 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.429 ' O ' ' HB ' ' B' ' 24' ' ' THR . 35.3 mm -123.06 99.73 7.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 64.13 51.02 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.766 0.666 . . . . 0.0 111.321 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.72 7.16 7.48 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.82 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -119.84 146.79 42.67 Favored Pre-proline 0 N--CA 1.438 -1.033 0 C-N-CA 122.426 0.29 . . . . 0.0 110.386 -172.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.55 129.23 33.77 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.319 2.679 . . . . 0.0 112.727 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.0 t -82.54 136.51 45.47 Favored Pre-proline 0 N--CA 1.446 -0.667 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.0 Cg_exo -32.14 -57.18 0.27 Allowed 'Trans proline' 0 C--N 1.356 0.974 1 C-N-CA 125.789 4.326 . . . . 0.0 116.137 -178.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.55 -8.29 9.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.166 0.508 . . . . 0.0 111.763 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.477 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 31.5 p -130.12 95.94 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -75.75 51.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.463 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 97.85 50.28 1.66 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.251 174.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -118.43 -46.15 2.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.627 0.727 . . . . 0.0 109.21 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.59 -38.46 2.95 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -171.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.25 164.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.986 0.422 . . . . 0.0 111.743 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 12.4 pt -125.21 166.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.985 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.47 HD21 HD21 ' B' ' 44' ' ' LEU . 4.6 mp -88.17 164.23 15.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.506 0.67 . . . . 0.0 112.48 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.422 ' O ' ' HD1' ' B' ' 41' ' ' TYR . 81.1 p -105.83 177.23 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.459 173.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.483 ' HB1' ' SD ' ' A' ' 1' ' ' FME . . . -56.44 -45.06 80.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.48 0.582 . . . . 0.0 111.408 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . 0.441 ' HG3' HG21 ' A' ' 3' ' ' ILE . 53.7 tt0 -60.76 -44.14 97.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.986 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.7 75.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.891 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.534 ' HA ' HD21 ' B' ' 44' ' ' LEU . 4.4 m-85 -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.57 0.224 . . . . 0.0 111.19 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -68.78 -32.31 71.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.403 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.1 mp -87.02 -12.44 47.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.55 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.577 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -86.37 -43.52 12.79 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.237 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.31 -23.11 61.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.285 0.564 . . . . 0.0 110.105 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -74.16 -42.05 60.56 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.286 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.483 HG23 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.51 -28.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.844 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.6 mm-40 -55.06 -56.74 16.4 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.448 0.642 . . . . 0.0 109.731 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.483 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 33.4 ttmt -77.54 -5.87 51.63 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.632 -1.167 . . . . 0.0 113.004 -164.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -116.44 -2.45 12.04 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.659 172.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.5 mm? -119.12 -37.68 3.17 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.62 -33.16 3.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.012 -166.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.483 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.9 mtmt . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.563 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -106.25 1.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.62 0.724 . . . . 0.0 109.91 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.403 HG21 ' HG3' ' A' ' 39' ' ' GLN . 14.4 tt -126.43 137.13 58.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.46 145.68 48.64 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 -16.36 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.9 -0.71 49.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.698 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.06 -16.95 15.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.73 -13.81 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.107 0.48 . . . . 0.0 110.479 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -132.57 132.97 43.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.193 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.2 141.23 46.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.472 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.29 134.95 55.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.856 0.36 . . . . 0.0 110.617 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.54 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.0 OUTLIER -58.13 171.84 0.53 Allowed Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 124.413 1.085 . . . . 0.0 113.508 -172.018 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.54 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 55.5 Cg_exo -46.96 -42.47 25.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.169 2.579 . . . . 0.0 113.576 171.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.4 -0.9 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -172.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.59 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 7.3 p -116.61 43.47 2.22 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.307 -1.496 . . . . 0.0 113.296 176.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -91.34 36.09 0.93 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.623 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -18.41 0.4 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.56 -25.31 3.17 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -171.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.79 32.1 42.01 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.994 -1.098 . . . . 0.0 114.066 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.59 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.7 pt-20 -152.28 160.0 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 111.413 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.497 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.0 mm -123.0 99.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 175.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 62.94 51.54 2.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.644 0.59 . . . . 0.0 111.421 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.18 9.17 10.42 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.507 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.13 145.97 43.19 Favored Pre-proline 0 N--CA 1.437 -1.088 0 CA-C-N 115.551 -0.325 . . . . 0.0 110.452 -173.125 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.46 126.62 22.9 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.289 2.659 . . . . 0.0 113.123 -176.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 50.0 t -78.32 135.24 61.72 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.497 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -31.62 -57.34 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 125.945 4.43 . . . . 0.0 116.015 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 -7.84 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -167.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.7 p -130.28 96.65 4.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.9 p -74.62 50.29 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.2 48.47 1.87 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.244 174.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -116.9 -45.17 2.78 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 109.25 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.53 -39.05 2.75 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 -172.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -116.14 164.71 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -125.5 166.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.779 173.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.471 HD21 HD21 ' C' ' 44' ' ' LEU . 4.5 mp -88.36 163.88 15.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.376 0.608 . . . . 0.0 112.398 -174.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' THR . . . . . 0.419 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 71.0 p -105.68 175.95 5.33 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . 0.524 ' HB1' ' SD ' ' B' ' 1' ' ' FME . . . -54.2 -46.35 72.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.378 0.535 . . . . 0.0 111.72 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . 0.404 ' HG3' HG21 ' B' ' 3' ' ' ILE . 53.6 tt0 -60.8 -43.53 98.02 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.981 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.4 -30.02 75.86 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.85 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.543 ' HA ' HD21 ' C' ' 44' ' ' LEU . 4.7 m-85 -70.4 -33.84 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.274 0.23 . . . . 0.0 111.143 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.429 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 27.6 m -68.52 -32.25 72.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.56 0.695 . . . . 0.0 110.008 174.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.416 ' O ' HG22 ' C' ' 47' ' ' ILE . 5.2 mp -87.21 -12.21 47.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.575 -177.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -86.52 -43.43 12.74 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.073 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.25 -23.55 62.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.285 0.564 . . . . 0.0 110.195 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -74.18 -42.03 60.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.284 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.479 HG21 HG23 ' A' ' 47' ' ' ILE . 19.1 pt -79.53 -27.64 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.866 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.7 mm-40 -55.22 -56.62 17.92 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.425 0.631 . . . . 0.0 109.571 168.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.506 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 32.8 ttmt -77.57 -6.36 53.42 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.915 -163.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -116.52 -2.56 11.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 117.968 -1.493 . . . . 0.0 113.818 172.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.5 mm? -118.52 -36.02 3.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.537 0.684 . . . . 0.0 111.111 173.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.74 -32.33 2.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.051 -165.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.506 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 21.7 mtmt . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.672 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.51 -3.39 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.517 0.675 . . . . 0.0 110.681 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.21 131.59 71.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.118 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 148.62 44.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -64.03 -15.13 58.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.21 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.28 -4.35 57.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.434 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.5 -15.68 15.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.951 0.405 . . . . 0.0 110.621 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.95 -17.64 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.151 0.5 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.73 131.65 37.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.836 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.56 141.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.92 131.35 47.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.193 0.52 . . . . 0.0 110.668 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.789 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.6 164.57 6.95 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.903 -169.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.789 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 66.6 Cg_exo -48.21 -33.18 21.05 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.208 2.605 . . . . 0.0 114.306 175.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -149.04 -28.96 0.27 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -115.7 44.74 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -169.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 27.76 1.82 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -148.98 -20.7 0.3 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -164.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.58 -34.31 0.77 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.674 -172.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.47 19.13 46.33 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.217 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.6 pt-20 -158.4 166.63 31.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 110.732 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 24' ' ' THR . 32.0 mm -124.2 110.27 25.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.24 49.94 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.83 1.54 18.51 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.189 -0.529 . . . . 0.0 114.1 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -121.69 158.29 54.62 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 117.236 0.518 . . . . 0.0 110.942 -174.379 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.595 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.9 Cg_endo -57.46 139.49 90.32 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.283 2.655 . . . . 0.0 112.934 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' HG12 ' A' ' 21' ' ' ILE . 49.8 t -93.2 137.35 23.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.612 -174.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -29.55 -51.96 0.18 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.234 4.623 . . . . 0.0 116.768 -177.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 -6.33 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -168.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.407 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 21.0 p -130.75 100.92 5.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -77.04 50.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.94 44.74 3.52 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.92 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -108.68 -44.06 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.795 0.807 . . . . 0.0 108.829 176.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.0 2.9 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.5 m -115.28 163.69 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 111.73 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 pt -124.77 165.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD21 HD21 ' A' ' 44' ' ' LEU . 4.7 mp -87.72 162.79 16.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.509 0.671 . . . . 0.0 112.599 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.0 p -105.12 -178.92 3.79 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.356 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.0 97.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.893 0.77 . . . . 0.0 111.586 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.13 -39.23 85.53 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.512 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.59 71.1 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.876 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' HA ' HD21 ' A' ' 44' ' ' LEU . 14.2 m-30 -69.33 -34.53 74.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.393 0.14 . . . . 0.0 110.807 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.6 m -69.12 -34.75 75.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.214 0.53 . . . . 0.0 110.579 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.418 ' O ' HG22 ' A' ' 47' ' ' ILE . 6.0 mp -86.89 -16.17 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD21 ' HA ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -83.31 -42.98 16.5 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.169 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.32 -22.6 61.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 110.535 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.79 -43.12 56.43 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.095 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.472 HG21 HG23 ' B' ' 47' ' ' ILE . 20.7 pt -79.61 -29.36 13.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.701 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 75.8 mm-40 -54.0 -58.94 5.45 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 121.24 0.543 . . . . 0.0 109.717 167.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 2.9 ttmp? -76.63 -3.3 37.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.886 -164.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -117.77 -1.57 11.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.471 -1.292 . . . . 0.0 113.545 169.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.411 HD22 ' O ' ' A' ' 47' ' ' ILE . 3.2 mm? -122.38 -43.77 2.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' HB2' HD13 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -122.83 -21.4 5.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -168.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 18.8 mtmt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.189 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.99 -7.47 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.455 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.62 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.178 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.93 147.11 46.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.988 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -62.81 -16.73 59.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.042 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.58 -2.06 52.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -103.55 -19.22 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.399 . . . . 0.0 110.634 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.07 -17.29 13.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.705 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.87 132.29 40.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.479 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.82 140.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.454 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -63.64 131.95 49.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 110.55 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.784 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.69 164.83 8.71 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.915 -168.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.784 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 63.7 Cg_exo -48.79 -31.84 20.64 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.229 2.619 . . . . 0.0 114.558 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.88 -28.06 0.21 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -168.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.511 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 20.4 p -115.33 43.68 1.98 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -169.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.458 ' HA ' ' CA ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.53 26.59 1.95 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -148.04 -21.63 0.35 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -163.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.49 -32.54 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.631 -173.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.2 20.93 47.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.907 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.0 pt-20 -159.99 165.71 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.624 ' O ' HG23 ' B' ' 24' ' ' THR . 28.9 mm -124.71 111.2 27.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.8 47.58 19.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.0 109.963 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -0.72 24.25 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.072 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.624 HG23 ' O ' ' B' ' 21' ' ' ILE . 0.6 OUTLIER -119.63 158.36 49.59 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 117.165 0.483 . . . . 0.0 110.398 -174.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.619 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.0 Cg_endo -55.56 145.15 71.1 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.962 2.441 . . . . 0.0 112.247 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 48.9 t -97.66 137.85 21.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.2 Cg_exo -30.1 -54.99 0.2 Allowed 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.847 4.365 . . . . 0.0 116.402 -177.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.96 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 23.9 p -131.21 100.02 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -76.69 52.4 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 112.205 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.85 47.59 3.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.734 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.416 ' HB3' ' HD3' ' C' ' 49' ' ' LYS . 42.6 mttm -112.5 -44.63 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' B' ' 16' ' ' GLU . . . 115.59 -38.8 2.96 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -172.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.8 m -114.65 163.54 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 0.0 111.722 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.3 pt -124.7 166.01 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.001 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.492 HD21 HD21 ' B' ' 44' ' ' LEU . 4.8 mp -87.52 163.34 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.456 0.646 . . . . 0.0 112.432 -174.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 74.6 p -105.25 -177.61 3.41 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.54 98.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.904 0.775 . . . . 0.0 111.43 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.12 -39.22 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.362 . . . . 0.0 110.473 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.6 -29.91 71.16 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.765 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.513 ' HA ' HD21 ' B' ' 44' ' ' LEU . 14.7 m-30 -69.45 -34.14 73.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.377 0.132 . . . . 0.0 110.675 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 42.0 m -69.3 -35.3 75.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 173.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.423 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.9 mp -86.55 -16.44 36.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.119 -174.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -82.88 -43.12 16.94 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.104 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.49 -22.41 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.337 0.589 . . . . 0.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -74.72 -42.96 57.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.133 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.472 HG23 HG21 ' A' ' 47' ' ' ILE . 20.4 pt -79.73 -29.22 12.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.711 -176.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 75.1 mm-40 -54.12 -59.26 4.89 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.152 0.501 . . . . 0.0 109.778 167.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' B' ' 53' ' ' LYS . 2.9 ttmp? -76.39 -3.68 38.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.844 -164.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -117.56 -1.51 11.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.319 -1.352 . . . . 0.0 113.452 170.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -122.47 -45.23 2.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.324 0.511 . . . . 0.0 111.293 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.467 ' HB2' HD13 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -120.61 -21.64 6.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.291 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.81 -7.87 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 0.0 110.39 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 tt -121.31 131.96 71.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.252 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.69 43.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -15.35 62.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.789 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.43 -5.1 57.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -102.87 -17.77 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.717 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.54 -17.37 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.111 0.481 . . . . 0.0 110.629 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -134.58 131.67 38.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.57 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.69 140.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.484 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.18 131.17 46.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.387 0.613 . . . . 0.0 110.415 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.593 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -60.84 167.36 3.56 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.633 -168.399 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.593 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 71.1 Cg_exo -49.82 -35.66 40.27 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.921 2.414 . . . . 0.0 114.114 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -147.86 -28.5 0.34 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -167.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 26.7 p -115.29 44.04 1.91 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -148.4 -21.9 0.33 Allowed 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -163.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.0 -35.17 0.86 Allowed 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.798 -173.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.24 35.84 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.179 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.0 pt-20 -158.63 168.12 27.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.132 0.492 . . . . 0.0 110.766 -178.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.651 ' O ' HG23 ' C' ' 24' ' ' THR . 35.7 mm -126.25 109.97 22.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.19 48.87 12.13 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.336 0.398 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 0.93 15.02 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.998 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.651 HG23 ' O ' ' C' ' 21' ' ' ILE . 0.5 OUTLIER -119.76 157.94 50.97 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 117.297 0.548 . . . . 0.0 110.928 -173.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . 0.561 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 17.7 Cg_endo -56.71 141.06 91.98 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.123 2.549 . . . . 0.0 112.534 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.476 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 47.6 t -97.19 138.73 21.23 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -174.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.476 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 43.5 Cg_exo -28.71 -56.11 0.14 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.333 4.689 . . . . 0.0 116.264 -177.215 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.17 -5.09 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 0.0 111.97 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 32.0 p -130.39 97.91 4.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -76.9 50.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.84 46.85 3.3 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.674 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -110.99 -43.51 3.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 108.964 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.7 -38.65 3.06 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.1 m -116.24 164.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.651 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.427 HG21 ' SG ' ' C' ' 12' ' ' CYS . 16.9 pt -124.79 166.69 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.091 173.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.49 HD21 HD21 ' C' ' 44' ' ' LEU . 4.7 mp -87.7 163.88 16.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.448 0.642 . . . . 0.0 112.597 -174.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 62.3 p -105.73 -177.98 3.52 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.29 99.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 119.035 0.834 . . . . 0.0 111.364 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.499 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.02 -29.62 72.34 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.884 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.512 ' HA ' HD21 ' C' ' 44' ' ' LEU . 14.5 m-30 -69.58 -34.61 74.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.006 -0.114 . . . . 0.0 110.743 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 40.7 m -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.156 0.503 . . . . 0.0 110.616 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.422 ' O ' HG22 ' C' ' 47' ' ' ILE . 6.0 mp -86.95 -16.49 35.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.216 -174.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' C' ' 41' ' ' TYR . 0.7 OUTLIER -83.18 -42.68 17.02 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.068 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.4 -22.65 61.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.538 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -74.7 -43.22 56.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.471 HG23 HG21 ' B' ' 47' ' ' ILE . 20.3 pt -79.66 -29.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.772 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 76.5 mm-40 -53.67 -60.2 3.63 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 167.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.508 ' HA ' ' HB2' ' C' ' 53' ' ' LYS . 2.3 ttmp? -76.91 -2.39 33.34 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.0 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . 0.401 ' CE1' HD22 ' B' ' 36' ' ' LEU . 18.1 m80 -117.49 -1.67 11.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.336 -1.346 . . . . 0.0 113.534 169.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.467 HD13 ' HB2' ' B' ' 52' ' ' ASN . 3.2 mm? -122.12 -43.95 2.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.377 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . 0.407 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -121.43 -23.03 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.663 -168.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.508 ' HB2' ' HA ' ' C' ' 49' ' ' LYS . 23.6 mtmt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.98 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.505 ' HE1' ' OG1' ' B' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -104.98 -13.97 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.905 0.859 . . . . 0.0 108.754 174.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.95 134.26 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.811 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.34 151.23 49.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.004 0.431 . . . . 0.0 110.042 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -67.73 -9.8 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -174.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.47 -11.32 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.264 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -104.89 -6.65 19.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 6.7 mp -118.18 -19.57 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -140.21 137.79 34.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.408 173.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.0 148.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.514 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.13 132.74 51.34 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.741 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.8 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 29.3 t -66.88 161.22 63.84 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 123.777 0.831 . . . . 0.0 112.01 -169.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 21.0 Cg_exo -32.37 -44.5 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 123.687 2.925 . . . . 0.0 114.767 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -162.25 1.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -173.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 p -117.06 41.27 2.79 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 115.058 -2.657 . . . . 0.0 113.823 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.52 26.51 1.45 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -149.43 -26.78 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.5 -42.04 2.24 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.79 16.43 39.12 Favored Glycine 0 C--O 1.226 -0.369 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.184 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -158.48 164.85 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' O ' ' HB ' ' A' ' 24' ' ' THR . 37.2 mt -142.66 121.05 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 58.33 43.4 20.07 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.933 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.04 15.27 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.806 0.67 . . . . 0.0 112.31 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -121.6 146.3 45.05 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 114.129 -1.036 . . . . 0.0 110.509 -170.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.76 128.88 29.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.651 2.234 . . . . 0.0 111.888 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.06 135.38 44.9 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.636 -167.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -30.67 -57.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.154 1 C-N-CA 126.01 4.474 . . . . 0.0 116.085 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.32 -9.39 9.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -165.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.4 p -131.05 94.4 3.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.557 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -71.89 55.43 0.28 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.16 5.37 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.512 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -112.73 -43.18 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.486 0.66 . . . . 0.0 109.447 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 121.1 -38.48 2.67 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.307 -178.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -116.22 164.81 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 pt -128.17 161.52 36.35 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.869 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD23 HD22 ' A' ' 44' ' ' LEU . 4.3 mp -87.9 165.33 15.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -170.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.402 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 60.9 p -106.82 178.97 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.631 173.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.75 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.458 0.572 . . . . 0.0 111.8 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.05 -43.52 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.696 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.23 -31.75 78.19 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.001 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.516 ' HA ' HD22 ' A' ' 44' ' ' LEU . 4.9 m-85 -69.6 -32.22 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.131 0.172 . . . . 0.0 111.193 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.496 ' OG1' ' HE1' ' C' ' 1' ' ' FME . 25.7 m -71.45 -31.25 66.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.489 0.662 . . . . 0.0 109.95 175.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 47' ' ' ILE . 5.7 mp -86.83 -20.09 28.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.677 -177.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -80.57 -43.88 19.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.837 -178.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.84 -22.75 61.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -74.17 -42.35 60.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.915 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 HG23 HG21 ' C' ' 47' ' ' ILE . 20.5 pt -79.18 -26.82 13.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 119.709 -0.797 . . . . 0.0 110.49 -177.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.597 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.2 mm-40 -55.34 -60.61 3.17 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.27 0.557 . . . . 0.0 109.706 167.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 15.4 ttpp -78.59 3.09 17.16 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.754 -165.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.49 ' NE2' HD21 ' C' ' 36' ' ' LEU . 59.4 m80 -117.16 -2.92 11.57 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 118.244 -1.382 . . . . 0.0 114.144 163.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.3 mm? -123.88 -43.58 2.11 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.779 0.718 . . . . 0.0 111.637 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.6 OUTLIER -119.89 -20.28 7.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.226 -168.01 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.607 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.5 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.715 175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.521 ' HE1' ' OG1' ' C' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -105.43 -15.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.6 134.28 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.856 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.2 149.65 49.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.071 0.462 . . . . 0.0 109.814 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -67.18 -10.26 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.52 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 -10.36 59.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.223 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -104.97 -8.54 18.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.896 0.379 . . . . 0.0 111.026 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.95 -19.65 10.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.937 0.399 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -140.34 139.51 35.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.172 173.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -131.05 148.8 33.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.504 ' HB2' ' HG2' ' B' ' 16' ' ' GLU . . . -64.22 130.67 44.79 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.854 0.359 . . . . 0.0 110.64 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.881 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 47.0 t -65.41 159.92 63.12 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.239 1.015 . . . . 0.0 111.803 -169.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.881 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 18.3 Cg_exo -31.09 -44.56 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.18 3.253 . . . . 0.0 114.93 175.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.512 ' HZ1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -160.69 -2.07 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.67 39.25 3.22 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 117.159 -1.816 . . . . 0.0 113.056 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.37 25.77 1.84 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.652 0.739 . . . . 0.0 109.154 -179.014 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -148.81 -22.77 0.31 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -166.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.82 -43.97 1.67 Allowed 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.392 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.06 17.59 34.36 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.262 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -159.58 164.12 34.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.821 0.31 . . . . 0.0 110.402 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB ' ' B' ' 24' ' ' THR . 47.0 mt -142.79 117.95 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.817 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.46 44.91 14.29 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.745 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.91 22.17 11.73 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-O 122.168 0.871 . . . . 0.0 112.813 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.0 OUTLIER -125.83 145.09 50.56 Favored Pre-proline 0 C--N 1.298 -1.67 0 CA-C-N 114.023 -1.089 . . . . 0.0 110.053 -170.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.28 126.62 22.03 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.665 2.243 . . . . 0.0 111.681 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' B' ' 21' ' ' ILE . 42.4 t -80.46 135.26 53.59 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.703 -169.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -30.51 -58.68 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 125.95 4.433 . . . . 0.0 116.633 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.56 -11.62 9.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.271 0.558 . . . . 0.0 111.997 -165.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.08 93.49 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -71.57 54.63 0.23 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.62 5.27 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -113.65 -42.21 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' B' ' 16' ' ' GLU . . . 121.7 -38.96 2.47 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.375 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.64 163.62 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.9 pt -126.94 161.57 33.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.452 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.481 HD21 ' NE2' ' C' ' 50' ' ' HIS . 4.5 mp -87.75 166.07 14.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -171.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.431 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.7 p -106.68 -179.87 4.06 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.481 172.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.401 ' HB1' ' HE3' ' A' ' 1' ' ' FME . . . -60.32 -45.81 92.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.634 0.652 . . . . 0.0 111.36 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.24 -41.49 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.799 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.44 87.93 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.001 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.542 ' HA ' HD22 ' B' ' 44' ' ' LEU . 5.4 m-85 -69.85 -32.96 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.453 0.168 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.505 ' OG1' ' HE1' ' A' ' 1' ' ' FME . 20.3 m -69.76 -31.65 69.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.438 0.637 . . . . 0.0 110.568 175.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.486 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.2 mp -87.06 -17.03 33.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.333 -176.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.4 OUTLIER -83.47 -44.61 14.55 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.895 -177.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.06 -22.24 61.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.344 0.592 . . . . 0.0 109.935 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -74.56 -41.61 60.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.099 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.486 HG22 ' O ' ' B' ' 43' ' ' LEU . 19.5 pt -79.45 -26.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.534 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -55.65 -60.11 3.9 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.303 0.573 . . . . 0.0 109.692 167.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.619 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 14.0 ttpp -79.22 2.93 19.41 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.104 -165.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.454 ' NE2' HD21 ' A' ' 36' ' ' LEU . 54.6 m80 -117.22 -2.31 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 118.156 -1.418 . . . . 0.0 114.285 163.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.425 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -123.46 -43.28 2.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.968 0.804 . . . . 0.0 111.741 176.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.22 -21.67 7.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.043 -168.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.619 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.2 mtmt . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.634 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.496 ' HE1' ' OG1' ' A' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.25 -16.05 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.908 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -111.74 134.4 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.906 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.74 148.35 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.469 . . . . 0.0 110.134 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.31 -12.06 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.856 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.2 -10.27 59.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.251 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -105.4 -6.55 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.22 -19.89 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -140.49 138.05 34.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.077 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.39 148.35 33.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -175.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.508 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -63.52 131.07 46.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.085 0.469 . . . . 0.0 110.641 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.937 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 25.5 t -64.82 161.15 48.55 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 124.022 0.929 . . . . 0.0 112.056 -169.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.937 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 15.6 Cg_exo -32.09 -43.81 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.946 3.097 . . . . 0.0 115.152 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . 0.537 ' HZ1' ' HB2' ' C' ' 14' ' ' LYS . 0.0 OUTLIER -161.19 -4.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.784 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.91 39.74 2.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 117.652 -1.619 . . . . 0.0 112.984 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.508 ' HG2' ' HB2' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -89.11 24.4 2.14 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -148.48 -21.3 0.33 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -166.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.0 -43.47 1.5 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -168.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.37 15.84 42.57 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.429 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -158.71 163.38 36.87 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.359 -0.495 . . . . 0.0 109.922 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.516 ' O ' ' HB ' ' C' ' 24' ' ' THR . 51.9 mt -142.59 119.03 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.18 44.75 15.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.795 1.309 . . . . 0.0 110.805 -170.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.89 16.82 8.28 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 121.836 0.687 . . . . 0.0 112.703 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.75 146.16 45.03 Favored Pre-proline 0 C--N 1.299 -1.591 0 CA-C-N 114.335 -0.933 . . . . 0.0 110.524 -170.384 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.97 125.92 20.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.962 2.441 . . . . 0.0 112.007 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' C' ' 21' ' ' ILE . 40.6 t -79.86 136.11 55.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.858 -169.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 64.8 Cg_exo -31.61 -57.28 0.24 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 125.898 4.399 . . . . 0.0 116.464 -176.191 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.35 -10.0 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 112.317 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 26.6 p -130.7 94.78 3.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -71.29 53.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.61 5.27 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.395 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -113.19 -40.92 3.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.671 . . . . 0.0 109.393 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 120.19 -38.9 2.6 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.338 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.57 164.12 13.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -127.54 161.07 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.732 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.49 HD21 ' NE2' ' A' ' 50' ' ' HIS . 4.5 mp -88.23 165.14 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -170.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' THR . . . . . 0.438 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 71.0 p -106.16 179.58 4.23 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.545 173.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.85 95.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.842 0.746 . . . . 0.0 111.348 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.49 -41.43 94.25 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.3 -33.75 83.39 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.834 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.544 ' HA ' HD22 ' C' ' 44' ' ' LEU . 6.0 m-85 -69.71 -33.59 72.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.893 -0.181 . . . . 0.0 111.153 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.521 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 21.7 m -69.49 -31.17 69.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.357 0.598 . . . . 0.0 110.579 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.462 ' O ' HG22 ' C' ' 47' ' ' ILE . 5.0 mp -87.25 -17.01 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 -177.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.4 OUTLIER -83.62 -44.69 14.3 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.797 -177.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.96 -21.48 61.59 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.289 0.566 . . . . 0.0 110.059 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -74.39 -42.4 59.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.954 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.475 HG21 HG23 ' A' ' 47' ' ' ILE . 19.4 pt -79.27 -26.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.676 -0.809 . . . . 0.0 110.534 -177.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.54 -60.19 3.78 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.206 0.527 . . . . 0.0 109.595 167.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.617 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 14.1 ttpp -78.99 2.75 19.32 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.021 -0.991 . . . . 0.0 112.837 -166.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . 0.481 ' NE2' HD21 ' B' ' 36' ' ' LEU . 58.9 m80 -117.11 -2.58 11.66 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 118.267 -1.373 . . . . 0.0 114.212 163.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.25 -42.49 2.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.836 0.744 . . . . 0.0 111.894 176.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . 0.416 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -121.64 -19.23 6.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.163 -167.649 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.617 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.575 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -104.91 5.54 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.525 0.678 . . . . 0.0 110.751 -172.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.47 137.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.598 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.54 160.73 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.242 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -16.34 60.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.023 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.34 -8.17 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.752 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -103.83 3.69 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.488 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -124.93 -34.32 2.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.224 0.535 . . . . 0.0 110.493 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -134.74 143.47 47.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.793 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.88 140.66 48.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.86 135.32 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.193 0.521 . . . . 0.0 110.59 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.568 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -63.11 169.26 3.76 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.277 -170.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.568 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 95.5 Cg_exo -53.05 -33.07 61.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.805 2.337 . . . . 0.0 114.246 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 7.0 tmtm? -150.83 -30.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -165.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 p -116.33 42.67 2.35 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.814 -1.178 . . . . 0.0 114.103 -168.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.86 27.24 1.85 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.203 0.525 . . . . 0.0 109.955 -175.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -148.57 -25.09 0.32 Allowed 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -167.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.81 -31.94 2.62 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.101 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.41 41.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.057 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -151.15 159.81 44.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.011 0.406 . . . . 0.0 111.447 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.597 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.1 mm -130.2 109.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.52 45.26 10.86 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.172 0.295 . . . . 0.0 111.213 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.49 7.86 11.88 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.563 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -119.32 145.53 38.79 Favored Pre-proline 0 C--N 1.305 -1.351 0 C-N-CA 123.426 0.69 . . . . 0.0 110.168 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -54.85 132.97 55.11 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.089 2.526 . . . . 0.0 111.986 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 52.5 t -84.48 136.94 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.468 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.1 Cg_exo -29.13 -52.82 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.111 1 C-N-CA 126.182 4.588 . . . . 0.0 116.021 -177.071 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.15 -6.41 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 111.871 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 30.3 p -132.66 88.79 2.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.233 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -76.61 60.17 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.96 0.409 . . . . 0.0 111.533 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.88 46.05 2.98 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.838 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mppt? -126.2 -36.35 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 109.76 -39.2 2.99 Favored Glycine 0 N--CA 1.434 -1.456 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.18 164.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.028 0.442 . . . . 0.0 111.777 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.1 pt -127.55 162.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.468 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD23 HD22 ' A' ' 44' ' ' LEU . 3.0 mp -87.93 157.15 19.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.714 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -107.26 176.15 5.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.562 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.52 70.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -52.79 60.43 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.81 -27.87 73.13 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.856 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.51 ' HA ' HD22 ' A' ' 44' ' ' LEU . 13.0 m-85 -68.82 -34.19 75.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.532 -0.393 . . . . 0.0 110.908 176.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -70.32 -31.53 68.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.443 0.64 . . . . 0.0 110.493 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.611 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.9 mp -86.06 -23.11 26.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.094 -174.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -77.73 -40.39 41.33 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.125 -179.317 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.052 0.453 . . . . 0.0 110.49 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.496 ' CZ ' HD22 ' C' ' 36' ' ' LEU . 64.2 t80 -75.16 -39.0 60.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 175.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 43' ' ' LEU . 29.2 pt -78.0 -33.76 18.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.813 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -51.79 -62.21 1.77 Allowed 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.397 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.0 ttmt -77.79 -3.38 41.12 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.831 -161.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.655 ' O ' HD23 ' A' ' 51' ' ' LEU . 90.4 m-70 -117.25 -2.55 11.6 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 117.383 -1.727 . . . . 0.0 113.956 169.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -126.75 -46.76 1.56 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.561 0.619 . . . . 0.0 112.137 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -106.56 -25.25 11.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 14.1 mtmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.257 -0.877 . . . . 0.0 109.795 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.17 7.85 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.712 0.768 . . . . 0.0 110.644 -173.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.15 137.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.593 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.82 159.41 25.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.859 0.361 . . . . 0.0 110.254 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -63.23 -16.2 59.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.975 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.08 -8.7 59.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -103.34 1.77 33.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.613 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -122.38 -33.7 3.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.321 0.581 . . . . 0.0 110.628 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -134.61 145.87 49.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.749 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.18 141.14 46.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.403 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.6 135.99 56.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.689 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -61.33 167.2 4.27 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.644 -171.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.689 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 82.6 Cg_exo -51.64 -31.67 41.55 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.592 2.194 . . . . 0.0 114.342 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 7.0 tmtm? -151.2 -30.42 0.18 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -164.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 15.5 p -117.34 43.39 2.35 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -168.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -91.07 27.32 1.89 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 109.894 -176.278 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -148.93 -24.09 0.31 Allowed 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -166.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.57 -32.84 2.13 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.965 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.72 23.12 43.66 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.434 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 5.9 pt-20 -149.36 159.61 44.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.109 0.455 . . . . 0.0 111.135 -175.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.538 ' O ' ' HB ' ' B' ' 24' ' ' THR . 29.8 mm -130.42 109.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.11 46.01 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.354 0.409 . . . . 0.0 110.998 -177.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.57 8.9 10.56 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.733 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.538 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -119.94 145.37 39.54 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 114.75 -0.725 . . . . 0.0 110.202 -170.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.33 133.36 55.64 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.155 2.57 . . . . 0.0 111.725 -176.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.1 t -84.65 137.48 38.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.441 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.3 Cg_exo -29.25 -52.41 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 126.103 4.535 . . . . 0.0 115.942 -177.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.82 -3.79 4.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.906 0.384 . . . . 0.0 111.967 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.474 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 18.0 p -133.25 90.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.054 0.454 . . . . 0.0 109.888 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -77.35 57.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.417 . . . . 0.0 111.28 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 49.92 2.19 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.909 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -127.89 -36.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.22 -39.24 2.97 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.401 HG11 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -114.94 164.87 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 111.837 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.02 162.5 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.453 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.481 HD22 ' CZ ' ' C' ' 46' ' ' PHE . 2.9 mp -87.79 157.65 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.89 176.6 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.505 170.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.97 69.5 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -52.3 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.41 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -66.05 -28.07 73.38 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.907 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.512 ' HA ' HD22 ' B' ' 44' ' ' LEU . 13.4 m-85 -68.59 -33.99 75.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.37 -0.488 . . . . 0.0 111.023 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -70.43 -31.77 69.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.355 0.597 . . . . 0.0 110.554 174.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.59 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.0 mp -86.14 -23.04 26.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' B' ' 41' ' ' TYR . 0.9 OUTLIER -77.74 -40.83 39.73 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.138 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.94 -24.04 62.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.46 ' CZ ' HD22 ' A' ' 36' ' ' LEU . 64.8 t80 -75.21 -39.62 59.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 175.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.59 HG23 ' O ' ' B' ' 43' ' ' LEU . 28.6 pt -77.91 -34.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.666 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -50.91 -62.1 1.81 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.503 0.668 . . . . 0.0 109.52 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.482 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.9 ttmt -77.48 -4.37 45.18 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.944 -162.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.662 ' O ' HD23 ' B' ' 51' ' ' LEU . 91.5 m-70 -116.6 -2.71 11.89 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.499 -1.68 . . . . 0.0 113.853 170.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.662 HD23 ' O ' ' B' ' 50' ' ' HIS . 12.6 mt -127.29 -45.77 1.52 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.605 0.639 . . . . 0.0 112.208 174.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.55 -25.21 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.8 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.383 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.2 7.77 9.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.581 0.705 . . . . 0.0 110.602 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -149.02 137.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.527 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.0 159.41 24.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -64.97 -14.85 61.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.669 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.69 -7.86 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.816 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.96 3.72 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.716 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.26 -33.41 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.35 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -135.68 144.31 45.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.005 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.89 140.89 47.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.64 135.08 55.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.721 0.295 . . . . 0.0 110.865 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.69 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.4 OUTLIER -59.12 167.58 2.0 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.879 0.872 . . . . 0.0 112.917 -172.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.69 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 89.4 Cg_exo -52.64 -32.33 53.98 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.792 2.328 . . . . 0.0 114.089 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -149.14 -33.14 0.21 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -165.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 23.2 p -116.53 44.78 1.94 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -167.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.4 26.33 2.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.26 0.553 . . . . 0.0 110.01 -176.703 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -148.06 -21.98 0.35 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -165.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.64 -32.39 1.7 Allowed 'General case' 0 C--N 1.343 0.283 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.108 -176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.3 20.9 50.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.447 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 4.0 pt-20 -147.36 158.46 43.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.215 0.507 . . . . 0.0 111.148 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.587 ' O ' ' HB ' ' C' ' 24' ' ' THR . 29.2 mm -129.81 110.0 18.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.62 46.15 15.03 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.145 0.278 . . . . 0.0 110.864 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.85 9.54 10.63 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.807 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.587 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -119.64 145.22 38.64 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.661 -0.77 . . . . 0.0 110.094 -170.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.62 132.34 50.88 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.774 2.316 . . . . 0.0 111.658 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.9 t -82.72 138.14 43.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 51.6 Cg_exo -30.01 -53.46 0.2 Allowed 'Trans proline' 0 C--N 1.358 1.078 1 C-N-CA 125.959 4.439 . . . . 0.0 115.907 -178.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.64 -2.94 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -169.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.473 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 16.8 p -133.7 91.05 2.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.985 0.421 . . . . 0.0 109.918 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -76.79 58.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.66 47.44 2.73 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.947 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -125.8 -37.08 2.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 110.9 -39.32 2.94 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' C' ' 11' ' ' ALA . 34.0 m -114.37 164.63 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.063 0.459 . . . . 0.0 111.723 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 18.0 pt -128.09 162.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.456 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.496 HD22 ' CZ ' ' A' ' 46' ' ' PHE . 2.9 mp -87.71 157.36 19.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.699 0.761 . . . . 0.0 112.918 -172.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -108.05 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.493 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.76 -44.9 70.38 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.24 -52.61 60.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . 0.422 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -66.0 -27.87 73.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.975 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.506 ' HA ' HD22 ' C' ' 44' ' ' LEU . 13.1 m-85 -68.71 -33.91 74.74 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.433 -0.451 . . . . 0.0 110.863 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 11.8 m -70.32 -31.88 69.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.512 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.614 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.9 mp -86.01 -23.01 27.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.18 -174.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' C' ' 41' ' ' TYR . 1.0 OUTLIER -77.91 -40.49 39.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.076 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.07 -24.24 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.481 ' CZ ' HD22 ' B' ' 36' ' ' LEU . 64.5 t80 -75.25 -38.98 60.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.717 175.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.614 HG23 ' O ' ' C' ' 43' ' ' LEU . 28.9 pt -78.18 -34.05 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.771 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -51.13 -62.36 1.66 Allowed 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.331 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.524 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 30.4 ttmt -77.13 -4.81 46.4 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.658 -161.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . 0.679 ' O ' HD23 ' C' ' 51' ' ' LEU . 93.6 m-70 -116.55 -2.82 11.9 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 117.547 -1.661 . . . . 0.0 114.009 171.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.679 HD23 ' O ' ' C' ' 50' ' ' HIS . 12.2 mt -127.19 -45.72 1.53 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.552 0.615 . . . . 0.0 112.332 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.77 -24.2 11.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.524 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.0 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.104 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.22 12.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.65 0.738 . . . . 0.0 110.385 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -148.04 142.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.526 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.29 161.46 21.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.875 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -65.66 -15.02 62.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.077 0.465 . . . . 0.0 110.837 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.02 -5.27 58.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -102.12 -5.37 24.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.92 -26.33 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.083 0.468 . . . . 0.0 110.561 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -137.69 146.43 43.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -128.67 139.33 52.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.298 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.86 133.95 54.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.89 0.376 . . . . 0.0 110.778 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.838 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 11.2 t -64.85 157.08 77.08 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.838 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 45.5 Cg_exo -38.82 -35.3 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.611 2.874 . . . . 0.0 114.851 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -146.55 -29.77 0.38 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -167.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 p -119.33 46.91 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -167.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -91.08 24.74 2.71 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -173.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -148.81 -17.98 0.31 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 -174.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -117.27 -42.08 2.93 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.647 -171.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.457 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.16 10.09 57.58 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.072 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 5.5 pt-20 -151.06 164.43 36.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 110.352 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 24' ' ' THR . 19.9 mt -143.62 124.27 9.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 173.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.55 45.75 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.574 0.546 . . . . 0.0 110.473 -172.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 59.46 8.28 6.85 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.14 -0.552 . . . . 0.0 114.183 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -119.81 153.76 54.84 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 117.694 0.747 . . . . 0.0 111.393 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 17.3 Cg_endo -54.32 122.83 12.2 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.21 2.607 . . . . 0.0 111.18 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 47.1 t -75.82 140.71 71.08 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.468 -168.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.54 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.2 Cg_exo -26.23 -52.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 1 C-N-CA 126.327 4.685 . . . . 0.0 116.691 -177.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.75 -3.5 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.319 0.58 . . . . 0.0 112.147 -169.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.57 89.75 2.75 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -73.08 54.04 0.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.13 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 91.75 50.58 2.67 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.314 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -126.53 -38.96 2.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.32 2.8 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.4 163.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.224 0.535 . . . . 0.0 112.273 -175.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 pt -125.44 157.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.214 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 HD23 HD21 ' A' ' 44' ' ' LEU . 4.5 mp -88.38 159.27 18.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.441 0.639 . . . . 0.0 112.502 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.32 176.08 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.226 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -51.61 -47.21 63.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HG3' HG21 ' C' ' 3' ' ' ILE . 48.9 tt0 -58.37 -47.07 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 111.215 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.1 -27.58 73.5 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.779 -0.725 . . . . 0.0 111.718 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.522 ' HA ' HD21 ' A' ' 44' ' ' LEU . 5.8 m-85 -70.43 -33.01 70.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.939 -0.154 . . . . 0.0 111.358 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -70.25 -33.86 72.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.366 0.603 . . . . 0.0 110.628 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' O ' HG23 ' A' ' 47' ' ' ILE . 4.8 mp -86.23 -16.14 38.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.73 -175.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.631 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.45 -41.58 16.47 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.551 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.91 -24.97 63.46 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.198 0.523 . . . . 0.0 110.514 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.07 -41.08 59.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.162 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.489 HG12 ' HA ' ' A' ' 44' ' ' LEU . 22.7 pt -80.46 -28.85 11.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.683 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 80.7 mm-40 -56.56 -59.03 5.58 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 121.261 0.553 . . . . 0.0 110.047 168.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 12.5 ttpt -77.42 0.9 20.78 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.542 -166.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -117.94 -1.44 11.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.401 -1.32 . . . . 0.0 113.797 165.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 HD22 ' O ' ' A' ' 47' ' ' ILE . 3.4 mm? -125.56 -37.5 2.34 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.394 0.543 . . . . 0.0 112.396 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HB2' HD13 ' B' ' 51' ' ' LEU . 0.5 OUTLIER -128.08 -20.4 3.79 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -168.076 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.6 mtmt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.253 -0.88 . . . . 0.0 109.174 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.65 10.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.705 0.764 . . . . 0.0 110.209 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -147.32 141.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.6 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.33 22.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.704 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -64.85 -13.86 57.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.233 0.54 . . . . 0.0 110.968 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.18 -5.87 58.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.807 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -102.71 -4.86 24.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.944 0.402 . . . . 0.0 110.938 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.22 -26.58 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.696 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -137.53 146.0 43.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.993 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.04 139.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.196 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.464 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -64.21 135.02 55.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.861 0.362 . . . . 0.0 110.779 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.864 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 t -66.72 155.64 88.8 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.864 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.0 Cg_exo -36.85 -35.82 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.725 2.95 . . . . 0.0 115.156 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -146.77 -29.46 0.38 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 14.2 p -118.18 46.96 1.68 Allowed 'General case' 0 C--O 1.243 0.721 0 O-C-N 120.683 -1.26 . . . . 0.0 114.387 -169.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.543 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -89.98 24.36 2.46 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.828 0.346 . . . . 0.0 110.766 -174.747 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 -21.26 0.33 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -174.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.89 -40.51 3.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.384 -171.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 93.3 11.61 58.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.112 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.7 pt-20 -150.71 165.09 34.51 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 120.999 0.428 . . . . 0.0 110.172 -175.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.521 ' O ' HG22 ' B' ' 24' ' ' THR . 24.6 mt -145.37 123.45 4.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 46.42 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.735 0.647 . . . . 0.0 110.773 -171.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.32 12.9 6.48 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.137 0.415 . . . . 0.0 114.137 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.521 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.5 OUTLIER -122.88 152.53 62.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.23 0.515 . . . . 0.0 111.465 -173.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.434 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 17.1 Cg_endo -54.7 118.71 5.4 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.21 2.607 . . . . 0.0 111.444 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.532 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 45.2 t -73.54 140.77 79.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.573 -169.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.532 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.6 Cg_exo -25.1 -57.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.079 1 C-N-CA 126.387 4.725 . . . . 0.0 116.321 -177.041 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.42 -4.31 5.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.152 0.501 . . . . 0.0 111.739 -168.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 29.4 p -130.96 89.93 2.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -73.35 55.64 0.47 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.104 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 92.18 46.71 3.51 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.71 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -123.91 -37.94 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 114.44 -39.24 2.87 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.03 163.07 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 112.171 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.9 157.25 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.262 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.473 HD23 HD21 ' B' ' 44' ' ' LEU . 4.6 mp -88.42 159.73 17.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 112.65 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -106.62 175.44 5.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.352 172.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.74 63.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -174.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -58.81 -46.39 87.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.319 . . . . 0.0 111.408 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.56 73.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.481 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' B' ' 44' ' ' LEU . 7.3 m-85 -70.23 -33.69 71.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.039 -0.094 . . . . 0.0 111.157 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -69.98 -33.59 72.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.392 0.615 . . . . 0.0 110.643 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.464 ' O ' HG23 ' B' ' 47' ' ' ILE . 4.9 mp -86.35 -16.66 36.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.601 -175.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -84.16 -41.9 16.55 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.413 -179.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.93 -24.67 63.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.145 0.497 . . . . 0.0 110.514 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -75.31 -41.09 57.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' B' ' 44' ' ' LEU . 22.8 pt -80.38 -28.84 12.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.615 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.9 mm-40 -56.49 -58.99 5.65 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.333 0.587 . . . . 0.0 110.038 168.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.588 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 12.1 ttpt -77.64 0.95 21.29 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.593 -166.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -117.82 -1.41 11.55 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.347 -1.341 . . . . 0.0 113.854 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.471 HD22 ' O ' ' B' ' 47' ' ' ILE . 3.4 mm? -125.18 -37.28 2.42 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.398 0.545 . . . . 0.0 112.286 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.408 ' HB2' HD13 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -128.97 -20.01 3.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -167.73 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.588 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.2 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.466 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.428 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -106.48 9.22 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.672 0.749 . . . . 0.0 110.244 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.4 HG21 ' HG3' ' A' ' 39' ' ' GLN . 17.6 tt -145.89 141.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.578 -177.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.89 161.01 22.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.636 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -64.89 -14.2 58.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 110.825 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.93 -6.52 59.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -101.36 -5.43 25.39 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.781 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.22 -26.25 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 110.66 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -137.71 146.81 44.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.959 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -128.73 139.45 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.317 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.443 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -63.81 134.15 54.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.91 0.386 . . . . 0.0 110.755 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.886 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 6.2 t -66.29 157.18 82.77 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -169.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.886 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -37.84 -38.3 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.648 2.899 . . . . 0.0 114.635 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -144.45 -29.82 0.47 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -166.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 p -117.51 46.85 1.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.43 24.76 2.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.758 0.313 . . . . 0.0 111.087 -175.251 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.417 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -148.42 -22.37 0.33 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -174.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . 0.417 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -113.69 -39.19 4.09 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.908 -171.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . 0.42 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.17 12.89 61.11 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.586 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.76 162.87 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.517 HD11 ' SG ' ' C' ' 26' ' ' CYS . 24.5 mt -145.94 125.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.84 43.87 30.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.677 0.611 . . . . 0.0 110.822 -172.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.98 7.68 7.06 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.116 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.494 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.6 OUTLIER -119.89 152.94 54.61 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 117.339 0.569 . . . . 0.0 110.854 -175.042 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 16.0 Cg_endo -54.56 123.49 13.79 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.225 2.617 . . . . 0.0 111.385 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.634 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 46.5 t -78.37 140.64 60.69 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.7 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.634 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 67.6 Cg_exo -25.82 -54.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 126.534 4.822 . . . . 0.0 116.647 -175.466 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.03 -4.3 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.903 -168.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 22.2 p -130.91 90.55 2.91 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -74.19 54.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 112.124 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 92.83 46.97 3.27 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.569 174.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -124.09 -38.76 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.93 -39.06 2.9 Favored Glycine 0 N--CA 1.435 -1.417 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.63 163.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 0.0 112.183 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.84 157.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.364 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.469 HD23 HD21 ' C' ' 44' ' ' LEU . 4.6 mp -88.57 158.71 18.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.591 0.71 . . . . 0.0 112.67 -170.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.4 174.91 5.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.182 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.93 62.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -58.51 -46.41 86.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.369 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.11 -27.58 73.65 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.594 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.535 ' HA ' HD21 ' C' ' 44' ' ' LEU . 6.1 m-85 -70.37 -32.6 70.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.883 -0.187 . . . . 0.0 111.279 175.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 10.4 m -70.48 -33.84 71.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.377 0.608 . . . . 0.0 110.703 172.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.448 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.9 mp -86.26 -16.6 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 -175.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.496 -179.372 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.0 -25.27 63.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.108 0.48 . . . . 0.0 110.548 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.99 -40.79 60.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.12 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' C' ' 44' ' ' LEU . 23.6 pt -80.55 -29.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.661 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.8 mm-40 -56.43 -59.21 5.3 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.356 0.598 . . . . 0.0 109.996 168.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.594 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 12.1 ttpt -77.44 1.01 20.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.357 -167.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -118.02 -1.47 11.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 118.388 -1.325 . . . . 0.0 113.975 165.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.464 HD22 ' O ' ' C' ' 47' ' ' ILE . 3.4 mm? -125.43 -36.85 2.42 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.358 0.526 . . . . 0.0 112.366 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . 0.424 ' HB2' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -128.83 -20.54 3.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -167.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.594 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 12.9 mtmt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.057 175.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.424 ' HE1' ' OG1' ' B' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.2 -2.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.491 0.663 . . . . 0.0 109.919 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 tt -128.7 135.5 62.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.262 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 155.8 37.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.149 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -65.41 -9.04 21.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.901 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.36 -13.41 59.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.43 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -105.18 3.65 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 75.3 mt -119.32 -29.61 5.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.994 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -143.2 145.79 33.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.933 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.55 146.45 31.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.705 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.64 135.84 56.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.215 0.531 . . . . 0.0 111.464 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -64.57 172.59 2.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -170.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 39.3 Cg_exo -41.3 -46.7 5.6 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 123.621 2.881 . . . . 0.0 113.74 170.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.2 0.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 -174.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 11.4 p -114.67 37.75 3.33 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 117.893 -1.523 . . . . 0.0 114.229 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.35 22.23 3.48 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.186 0.517 . . . . 0.0 110.214 -178.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 -11.3 0.42 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.01 -33.81 1.13 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.667 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.48 23.15 57.18 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.972 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -146.17 163.4 35.5 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.59 0.71 . . . . 0.0 110.799 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.503 ' O ' ' HB ' ' A' ' 24' ' ' THR . 34.1 mm -128.62 108.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 171.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 60.28 47.4 9.15 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.228 0.33 . . . . 0.0 111.085 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.45 9.21 29.83 Favored Glycine 0 N--CA 1.468 0.805 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.665 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -123.29 145.58 46.88 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.378 -0.911 . . . . 0.0 110.52 -169.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.14 131.54 43.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.906 2.404 . . . . 0.0 112.154 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.6 t -81.41 135.0 50.57 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -171.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -32.64 -58.75 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.892 4.395 . . . . 0.0 116.059 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.86 -11.39 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.412 -167.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.569 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 17.9 p -129.41 90.98 3.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 m -74.39 54.15 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.958 -0.464 . . . . 0.0 112.11 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.43 46.86 2.91 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.75 176.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -117.05 -42.23 2.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.79 -38.28 3.3 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.446 HG13 ' HA ' ' A' ' 11' ' ' ALA . 31.1 m -117.24 165.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.888 0.375 . . . . 0.0 111.545 -176.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.601 HG23 ' SG ' ' A' ' 12' ' ' CYS . 3.3 pt -124.28 160.38 28.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.953 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 HD22 HD21 ' A' ' 44' ' ' LEU . 4.0 mp -86.28 167.72 14.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 113.137 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.0 p -104.44 179.98 4.11 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.115 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.04 99.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.462 0.574 . . . . 0.0 110.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.34 -42.43 98.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.504 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.43 69.84 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.595 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.505 ' HA ' HD21 ' A' ' 44' ' ' LEU . 3.1 m-85 -69.65 -33.78 73.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' ' HE1' ' C' ' 1' ' ' FME . 18.6 m -69.3 -32.06 70.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.537 0.684 . . . . 0.0 109.693 174.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 47' ' ' ILE . 5.3 mp -86.73 -22.06 26.23 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -174.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -80.61 -44.16 19.38 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.313 -177.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.71 -23.51 60.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.75 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' C' ' 36' ' ' LEU . 66.1 t80 -75.14 -38.81 60.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.358 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 43' ' ' LEU . 20.3 pt -79.29 -29.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.353 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.531 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 58.7 mm-40 -56.4 -56.99 14.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.982 169.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 24.1 ttmm -78.34 1.08 23.06 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -167.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -116.56 -1.95 12.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 118.224 -1.39 . . . . 0.0 114.232 167.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -120.45 -39.67 2.75 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.442 0.639 . . . . 0.0 111.114 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.409 ' OD1' HD13 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -124.95 -29.86 3.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.46 -166.63 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HE2' ' HB3' ' A' ' 48' ' ' GLN . 7.2 mtmm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.964 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.41 ' HE1' ' OG1' ' C' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.07 -3.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.796 0.808 . . . . 0.0 109.85 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.7 tt -127.47 135.4 63.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.382 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.63 156.46 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.116 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.4 -7.3 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.928 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.52 -14.19 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.24 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -105.16 3.99 30.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.5 . . . . 0.0 110.188 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 75.3 mt -120.35 -30.15 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.427 ' CD ' ' HZ2' ' B' ' 32' ' ' LYS . 14.3 mt-10 -143.18 145.26 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.918 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.31 146.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.457 ' HA ' HG13 ' B' ' 34' ' ' VAL . . . -65.11 135.93 56.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.242 0.544 . . . . 0.0 111.536 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.613 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.8 OUTLIER -63.39 173.09 1.31 Allowed Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -170.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -41.15 -48.04 5.06 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 113.451 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 -0.03 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.702 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -113.75 38.65 2.89 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.167 -1.413 . . . . 0.0 114.303 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.82 22.65 3.48 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.432 -179.065 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -8.33 0.48 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.78 -35.48 0.87 Allowed 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.344 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.02 59.18 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.218 -0.992 . . . . 0.0 113.073 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.702 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -143.13 164.32 30.47 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 30.2 mm -129.61 109.52 18.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.008 171.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 58.85 49.0 10.41 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.43 0.456 . . . . 0.0 110.833 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.19 12.4 37.55 Favored Glycine 0 N--CA 1.466 0.654 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.466 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.97 144.74 52.57 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 114.304 -0.948 . . . . 0.0 111.1 -169.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.88 132.55 50.47 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.676 2.251 . . . . 0.0 111.808 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.6 t -82.74 135.18 46.12 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.745 -171.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 76.5 Cg_exo -33.15 -59.7 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.772 1 C-N-CA 125.555 4.17 . . . . 0.0 115.992 -178.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.71 -11.16 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.392 -167.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.577 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 14.6 p -129.25 90.71 3.06 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -74.74 54.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.882 -0.511 . . . . 0.0 112.014 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.05 2.53 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.629 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.427 ' HZ2' ' CD ' ' B' ' 9' ' ' GLU . 13.8 mtpp -119.1 -43.26 2.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.8 -38.5 3.16 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' B' ' 11' ' ' ALA . 31.1 m -117.3 165.4 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.814 0.34 . . . . 0.0 111.647 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.613 HG23 ' SG ' ' B' ' 12' ' ' CYS . 3.4 pt -124.49 159.98 29.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.026 175.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.475 HD22 HD21 ' B' ' 44' ' ' LEU . 4.0 mp -86.3 167.14 15.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.828 0.823 . . . . 0.0 113.122 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -104.06 -179.75 4.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.269 -1.332 . . . . 0.0 107.936 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.06 99.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 118.465 0.575 . . . . 0.0 110.425 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.8 -42.91 98.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.58 -31.61 70.88 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.781 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.52 ' HA ' HD21 ' B' ' 44' ' ' LEU . 3.0 m-85 -69.66 -33.88 73.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.424 ' OG1' ' HE1' ' A' ' 1' ' ' FME . 19.3 m -69.37 -31.78 70.4 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.575 0.703 . . . . 0.0 109.654 174.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.467 ' O ' HG22 ' B' ' 47' ' ' ILE . 5.3 mp -86.97 -21.69 26.03 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.827 -174.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.04 -44.55 17.88 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.31 -177.557 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.56 -23.55 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.564 -176.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 66.6 t80 -74.89 -39.01 61.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 43' ' ' LEU . 21.1 pt -79.19 -29.06 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.434 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.539 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 57.8 mm-40 -56.64 -57.36 12.72 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 169.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.627 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 23.3 ttmm -78.8 1.91 21.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -167.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -116.51 -1.27 12.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 118.323 -1.351 . . . . 0.0 114.067 165.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.435 HD22 ' O ' ' B' ' 47' ' ' ILE . 3.6 mm? -121.44 -37.43 2.91 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.524 0.602 . . . . 0.0 111.428 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.455 ' OD1' HD13 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -128.45 -25.81 2.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.676 -166.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.627 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.446 ' HE1' ' OG1' ' A' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -105.47 -6.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.576 0.703 . . . . 0.0 109.856 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.9 tt -124.19 135.13 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.479 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.16 154.61 39.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.194 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -64.8 -9.47 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.013 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.85 -12.22 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.403 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.99 3.31 30.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.115 0.483 . . . . 0.0 110.252 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.416 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 76.2 mt -119.79 -29.97 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -142.94 145.2 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.055 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.38 147.56 31.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.492 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -65.08 133.71 52.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.14 0.495 . . . . 0.0 111.853 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.789 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -61.5 172.08 1.13 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.766 1.227 . . . . 0.0 113.757 -171.122 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.789 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 39.2 Cg_exo -40.8 -46.32 4.83 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 123.916 3.077 . . . . 0.0 114.503 170.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.77 0.4 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.73 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 8.3 p -115.51 40.18 2.79 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 120.745 -1.222 . . . . 0.0 113.84 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.56 22.38 3.5 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.242 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.88 -8.61 0.47 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.18 -33.33 1.02 Allowed 'General case' 0 C--N 1.348 0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.51 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . 0.422 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 82.62 19.3 64.11 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.983 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.73 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.3 OUTLIER -142.62 163.71 32.09 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.568 0.699 . . . . 0.0 110.909 -178.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.401 ' O ' ' HB ' ' C' ' 24' ' ' THR . 30.5 mm -128.79 109.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 59.47 49.07 9.05 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.261 0.351 . . . . 0.0 110.943 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.33 12.57 32.51 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.636 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 0.9 OUTLIER -128.53 145.95 58.04 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 114.309 -0.946 . . . . 0.0 111.267 -169.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -58.22 130.74 39.31 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.701 2.268 . . . . 0.0 112.248 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 46.5 t -80.2 133.89 56.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.477 -171.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -32.57 -60.24 0.2 Allowed 'Trans proline' 0 CA--C 1.539 0.734 1 C-N-CA 125.334 4.023 . . . . 0.0 115.963 -178.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.17 -12.02 12.57 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 111.721 -166.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 14.6 p -129.78 93.13 3.45 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.3 m -74.47 54.11 0.57 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.034 0.445 . . . . 0.0 112.163 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.98 47.07 2.73 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.842 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -116.7 -42.16 3.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.21 -38.86 3.05 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' C' ' 11' ' ' ALA . 30.7 m -116.81 165.0 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.742 0.306 . . . . 0.0 111.488 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.63 159.87 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.882 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.454 HD22 HD21 ' C' ' 44' ' ' LEU . 4.0 mp -86.17 168.02 14.37 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 37.1 p -104.24 179.79 4.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.259 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.28 99.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.436 0.562 . . . . 0.0 110.406 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -60.79 -42.3 97.32 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.392 174.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.15 -31.47 69.2 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.803 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.515 ' HA ' HD21 ' C' ' 44' ' ' LEU . 3.1 m-85 -69.98 -32.62 70.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.41 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 19.2 m -69.99 -32.32 70.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.509 0.671 . . . . 0.0 109.805 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.479 ' O ' HG22 ' C' ' 47' ' ' ILE . 5.5 mp -86.76 -22.31 26.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.919 -174.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.515 HD21 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -80.21 -44.52 19.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.392 -177.729 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.7 -23.58 60.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.686 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.413 ' CZ ' HD21 ' B' ' 36' ' ' LEU . 65.8 t80 -75.33 -38.77 60.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.34 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.479 HG22 ' O ' ' C' ' 43' ' ' LEU . 21.4 pt -79.09 -29.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.419 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.528 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 58.8 mm-40 -56.16 -57.54 11.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.853 168.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.599 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 23.9 ttmm -78.65 1.86 21.4 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -116.46 -2.05 12.12 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.027 -1.469 . . . . 0.0 113.811 166.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.455 HD13 ' OD1' ' B' ' 52' ' ' ASN . 3.6 mm? -120.65 -41.58 2.57 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.186 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . 0.419 ' OD1' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -124.48 -25.5 4.04 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.424 -166.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.599 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.4 mtmm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.136 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.463 ' HE1' ' OG1' ' B' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.407 HG12 ' OE1' ' B' ' 39' ' ' GLN . 9.9 p -107.55 9.86 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 122.172 0.986 . . . . 0.0 108.866 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.33 133.64 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.42 149.68 44.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -61.2 -20.1 62.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.677 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -82.31 -3.49 55.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -102.85 -17.5 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 111.07 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -113.41 -12.22 13.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 0.0 110.272 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -135.19 136.79 42.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.75 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.66 147.42 32.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -64.26 134.06 53.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.035 0.445 . . . . 0.0 110.91 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.931 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 t -67.74 162.31 58.95 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 124.184 0.994 . . . . 0.0 111.774 -171.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.931 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 24.2 Cg_exo -34.94 -42.79 0.36 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.773 2.982 . . . . 0.0 114.85 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.544 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -161.56 -3.3 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -171.022 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 8.1 p -119.35 44.11 2.44 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.309 -1.356 . . . . 0.0 113.968 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.14 20.54 3.64 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.625 0.25 . . . . 0.0 111.261 -175.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.87 -13.58 0.27 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -174.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.42 -52.42 2.77 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -168.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 12.93 39.88 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.409 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.5 pt-20 -164.82 171.8 13.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 24' ' ' THR . 48.1 mt -140.15 124.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 170.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 53.47 43.49 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.667 0.605 . . . . 0.0 111.23 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 66.4 5.92 31.45 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.287 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -124.83 159.31 59.17 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 117.569 0.685 . . . . 0.0 111.237 -176.83 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.611 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.4 Cg_endo -56.63 134.03 61.78 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.051 2.501 . . . . 0.0 112.117 176.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.86 133.59 43.21 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.772 -172.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -28.22 -57.62 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 126.215 4.61 . . . . 0.0 116.242 -176.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.1 -12.51 12.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.827 0.676 . . . . 0.0 112.827 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.8 p -127.58 -1.61 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.383 -0.927 . . . . 0.0 113.047 -176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t 64.34 -64.88 0.14 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.57 30.16 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -167.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -100.87 -28.12 12.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.247 0.546 . . . . 0.0 109.76 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.27 -39.76 2.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.492 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.81 165.23 11.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 122.525 -0.397 . . . . 0.0 111.486 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.2 pt -127.01 159.46 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 HD21 HD22 ' A' ' 44' ' ' LEU . 5.1 mp -87.83 164.87 15.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.654 0.74 . . . . 0.0 112.627 -174.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.405 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 69.8 p -105.07 173.91 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.058 173.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.07 77.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.537 0.608 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' OE1' HG12 ' C' ' 2' ' ' VAL . 50.6 tp60 -50.27 -53.75 26.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.658 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.48 -30.36 77.66 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.469 -0.787 . . . . 0.0 113.227 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD22 ' A' ' 44' ' ' LEU . 5.5 m-85 -70.51 -32.2 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.052 0.426 . . . . 0.0 111.583 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.508 ' OG1' ' HE1' ' C' ' 1' ' ' FME . 54.3 m -69.54 -30.65 68.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 0.0 110.036 173.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' HG21 ' A' ' 47' ' ' ILE . 4.3 mp -87.14 -13.91 42.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.574 -177.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.544 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.86 -43.21 14.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.033 178.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.59 -23.2 62.53 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.32 0.581 . . . . 0.0 110.309 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.14 -43.06 58.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.321 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 HG22 HG23 ' C' ' 47' ' ' ILE . 17.9 pt -79.23 -28.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.983 -176.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 20.2 mm-40 -55.46 -55.47 31.41 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.679 168.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.02 -6.24 51.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.904 -165.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.444 ' CE1' HD22 ' C' ' 36' ' ' LEU . 20.3 m80 -116.46 -1.57 12.22 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.494 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD21 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -118.32 -49.58 2.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.69 0.757 . . . . 0.0 110.521 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.421 HD21 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -113.08 -30.28 7.04 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.484 -167.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.527 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.507 ' HE1' ' OG1' ' C' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.68 9.25 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.177 0.989 . . . . 0.0 109.002 174.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.09 134.37 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.016 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.15 148.98 46.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.178 0.513 . . . . 0.0 110.038 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -60.53 -20.33 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.545 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -82.52 -3.23 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.4 -173.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -103.68 -16.76 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.88 -12.48 13.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.542 . . . . 0.0 110.3 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -135.27 136.66 41.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.785 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.93 146.93 33.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.524 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -64.5 133.11 51.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 0.0 110.897 -177.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.958 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 8.5 t -65.4 163.26 34.24 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.831 0.852 . . . . 0.0 112.166 -171.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.958 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 27.4 Cg_exo -35.93 -43.17 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.516 2.81 . . . . 0.0 114.912 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.574 ' HZ1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -160.49 -3.96 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -171.55 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.474 ' O ' ' HA2' ' B' ' 33' ' ' GLY . 7.6 p -118.48 43.96 2.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 117.85 -1.54 . . . . 0.0 113.638 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.524 ' HG2' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.33 19.95 4.1 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 122.197 -0.314 . . . . 0.0 111.527 -175.609 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.7 -13.07 0.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -108.78 -52.46 2.76 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -167.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.02 12.74 41.93 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.128 -1.034 . . . . 0.0 112.34 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.8 pt-20 -165.39 171.78 13.01 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.667 ' O ' HG22 ' B' ' 24' ' ' THR . 44.8 mt -141.12 125.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 53.28 43.07 31.96 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.713 0.633 . . . . 0.0 111.0 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.46 7.16 31.93 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.558 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.667 HG22 ' O ' ' B' ' 21' ' ' ILE . 1.2 t -125.24 157.85 65.93 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 117.451 0.626 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.58 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.3 Cg_endo -55.72 134.96 67.14 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.689 2.259 . . . . 0.0 111.746 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 9.9 t -86.79 134.09 38.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.015 -172.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -27.12 -59.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 126.068 4.512 . . . . 0.0 116.339 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.9 -12.87 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -166.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 21.4 p -126.81 -1.88 6.62 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.443 -0.903 . . . . 0.0 113.066 -176.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t 64.51 -65.07 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.643 0.589 . . . . 0.0 112.486 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.97 35.17 0.04 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.42 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 47.5 mtmt -105.13 -29.3 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.41 0.624 . . . . 0.0 109.981 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.18 -39.78 2.76 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.543 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -115.07 164.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.913 0.387 . . . . 0.0 111.254 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 pt -126.74 159.76 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.45 175.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.466 HD21 HD22 ' B' ' 44' ' ' LEU . 5.2 mp -87.61 165.52 15.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.515 0.674 . . . . 0.0 112.472 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -105.36 173.94 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.168 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -46.21 76.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.457 0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . 0.407 ' OE1' HG12 ' A' ' 2' ' ' VAL . 48.0 tp60 -50.29 -53.34 29.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.723 172.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.19 77.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.26 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.527 ' HA ' HD22 ' B' ' 44' ' ' LEU . 5.0 m-85 -70.55 -32.61 70.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.992 0.396 . . . . 0.0 111.552 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.463 ' OG1' ' HE1' ' A' ' 1' ' ' FME . 46.9 m -69.15 -31.12 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 173.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.433 ' O ' HG21 ' B' ' 47' ' ' ILE . 4.2 mp -86.9 -13.6 44.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.437 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -85.02 -43.38 14.0 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.047 178.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.71 -22.97 62.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.3 0.572 . . . . 0.0 110.303 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.08 -43.3 58.2 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.325 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.48 HG22 HG23 ' A' ' 47' ' ' ILE . 17.7 pt -79.34 -28.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.879 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 19.9 mm-40 -55.4 -55.83 27.11 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.471 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 27.8 ttmt -77.31 -5.51 49.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.047 -165.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.447 ' CE1' HD22 ' A' ' 36' ' ' LEU . 20.3 m80 -116.51 -2.0 12.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 118.067 -1.453 . . . . 0.0 113.381 171.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.468 HD21 ' O ' ' B' ' 47' ' ' ILE . 3.6 mm? -117.78 -51.12 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.782 0.801 . . . . 0.0 110.421 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' B' ' 52' ' ' ASN . 0.2 OUTLIER -111.9 -28.54 8.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.48 -167.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.5 mtmt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.719 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.508 ' HE1' ' OG1' ' A' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . 0.476 HG12 ' OE1' ' A' ' 39' ' ' GLN . 9.9 p -106.49 10.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 122.239 1.019 . . . . 0.0 108.932 174.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 tt -140.38 133.88 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.733 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.85 150.92 45.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.068 0.461 . . . . 0.0 110.042 177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -61.9 -20.2 63.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.533 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.15 -4.16 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.35 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.24 -15.35 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.916 0.388 . . . . 0.0 110.972 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.6 -11.9 12.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.274 0.559 . . . . 0.0 110.421 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -135.75 137.29 41.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.786 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.46 146.55 33.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.496 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -64.35 133.45 52.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.07 0.462 . . . . 0.0 110.774 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.947 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 9.0 t -66.32 162.78 45.41 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 124.24 1.016 . . . . 0.0 111.808 -170.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.947 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 23.5 Cg_exo -35.06 -43.36 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.83 3.02 . . . . 0.0 114.851 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . 0.553 ' HZ1' ' HB2' ' C' ' 14' ' ' LYS . 0.0 OUTLIER -161.08 -4.1 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 14.4 p -118.18 43.32 2.48 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 117.845 -1.542 . . . . 0.0 114.179 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.554 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -88.82 20.16 3.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.694 0.283 . . . . 0.0 111.165 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -14.7 0.33 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -174.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.77 -52.67 2.74 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 13.05 39.48 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.543 -172.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -164.54 172.69 12.93 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.799 0.44 . . . . 0.0 109.942 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.573 ' O ' HG22 ' C' ' 24' ' ' THR . 45.3 mt -141.9 125.46 15.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 53.42 43.24 31.61 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.71 0.631 . . . . 0.0 111.067 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.21 11.4 39.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.412 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.585 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.8 OUTLIER -128.28 157.63 73.84 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 117.435 0.618 . . . . 0.0 111.26 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . 0.585 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 19.2 Cg_endo -56.56 133.67 59.48 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.06 2.507 . . . . 0.0 112.067 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.87 134.38 41.68 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -28.37 -59.3 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.774 1 C-N-CA 126.119 4.546 . . . . 0.0 116.19 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.42 -12.97 13.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -166.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 20.7 p -127.08 -2.4 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.357 -0.937 . . . . 0.0 113.054 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 42.6 t 64.29 -65.19 0.13 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.21 31.43 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -168.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -101.97 -28.97 12.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.377 0.608 . . . . 0.0 109.891 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.5 -39.84 2.75 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.458 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.04 164.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.9 0.381 . . . . 0.0 111.587 -176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 pt -127.14 159.36 37.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.505 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.463 HD21 HD22 ' C' ' 44' ' ' LEU . 5.2 mp -87.64 165.43 15.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.52 0.676 . . . . 0.0 112.499 -173.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' THR . . . . . 0.407 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 74.6 p -105.24 174.52 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.154 173.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . 0.451 ' HB3' ' HE3' ' B' ' 1' ' ' FME . . . -56.36 -45.43 80.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.627 0.649 . . . . 0.0 110.902 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -50.41 -53.54 28.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.34 77.68 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.235 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD22 ' C' ' 44' ' ' LEU . 5.3 m-85 -70.53 -32.49 69.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.031 0.415 . . . . 0.0 111.601 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.507 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 56.3 m -69.31 -31.02 69.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.492 0.663 . . . . 0.0 109.981 173.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.418 ' O ' HG21 ' C' ' 47' ' ' ILE . 4.1 mp -87.01 -13.5 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.509 -177.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.553 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -85.11 -43.33 13.97 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.001 179.014 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.78 -23.29 62.36 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.182 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -73.96 -43.0 59.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.315 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 47' ' ' ILE . 17.6 pt -79.26 -27.83 13.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.959 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 20.3 mm-40 -55.77 -55.39 32.98 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.667 168.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.464 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.4 ttmt -77.49 -5.33 49.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.903 -165.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . 0.455 ' CE1' HD22 ' B' ' 36' ' ' LEU . 20.5 m80 -116.79 -1.92 11.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.14 -1.424 . . . . 0.0 113.627 171.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.464 HD21 ' O ' ' C' ' 47' ' ' ILE . 3.6 mm? -117.96 -47.33 2.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.777 0.799 . . . . 0.0 110.726 173.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -30.06 6.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.405 -167.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.464 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 19.6 mtmt . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.858 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.439 ' HE1' ' OG1' ' B' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -106.51 6.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.235 1.017 . . . . 0.0 108.99 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 tt -138.44 131.93 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.218 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.26 150.22 42.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.196 0.522 . . . . 0.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -63.92 -17.91 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.296 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.94 -4.45 56.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.128 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.33 -15.84 15.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.207 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.51 -16.77 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -133.12 135.68 45.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.123 175.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.76 142.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB2' ' CB ' ' A' ' 16' ' ' GLU . . . -63.66 135.21 56.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -59.56 166.88 2.81 Favored Pre-proline 0 N--CA 1.455 -0.204 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -170.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -46.67 -34.51 15.52 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.066 2.511 . . . . 0.0 113.824 172.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -154.49 -24.93 0.12 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -166.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 p -117.9 45.14 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -172.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.724 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.9 26.61 1.77 Allowed 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -172.219 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -15.67 0.35 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.13 -31.14 5.12 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.829 -176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.02 12.79 65.36 Favored Glycine 0 C--O 1.218 -0.899 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.35 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.628 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 6.3 mm-40 -162.45 169.18 20.82 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' A' ' 24' ' ' THR . 25.8 mt -135.46 122.79 35.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 56.48 44.29 24.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.108 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.92 5.34 39.06 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.382 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -120.77 141.4 32.36 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 114.366 -0.917 . . . . 0.0 111.343 -169.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.628 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -57.01 128.33 29.45 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.778 2.318 . . . . 0.0 111.744 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.513 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 44.3 t -80.45 139.09 51.48 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.074 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.0 Cg_exo -31.39 -58.05 0.21 Allowed 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 125.838 4.359 . . . . 0.0 115.964 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.01 -5.75 6.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.759 -165.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 21.3 p -129.17 87.11 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -73.58 52.61 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 0.0 112.051 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 99.79 52.72 1.17 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.916 174.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HD3' ' O ' ' B' ' 49' ' ' LYS . 28.2 mtmm -127.99 -41.53 1.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 117.136 0.468 . . . . 0.0 109.853 175.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.724 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.37 -38.6 3.18 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.2 167.39 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.21 0.528 . . . . 0.0 111.649 -175.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.5 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.6 pt -127.41 160.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.836 172.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 HD21 HD22 ' A' ' 44' ' ' LEU . 4.5 mp -86.94 165.08 16.15 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.355 0.598 . . . . 0.0 112.383 -172.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.1 p -105.2 174.44 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.52 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.48 0.582 . . . . 0.0 111.958 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.33 -44.58 95.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.694 0.283 . . . . 0.0 110.803 175.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.52 -29.93 73.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.0 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.506 ' HA ' HD22 ' A' ' 44' ' ' LEU . 12.2 m-85 -68.82 -35.08 76.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.605 0.24 . . . . 0.0 111.094 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.456 ' OG1' ' HE1' ' C' ' 1' ' ' FME . 24.8 m -70.26 -31.85 69.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.376 0.608 . . . . 0.0 110.325 175.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.6 mp -87.06 -13.04 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.098 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.663 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -90.65 -43.3 10.25 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.038 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.61 -19.14 62.16 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.505 -0.747 . . . . 0.0 109.79 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.7 t80 -75.13 -43.76 50.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.362 173.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.687 ' O ' HD21 ' A' ' 51' ' ' LEU . 1.5 pp -80.47 -22.34 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 118.724 -1.19 . . . . 0.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.663 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.1 mm-40 -57.84 -60.35 3.84 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 166.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.628 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 28.9 ttmt -77.3 -0.69 26.44 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.512 -166.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -118.49 -2.25 11.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 118.37 -1.332 . . . . 0.0 113.912 166.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 47' ' ' ILE . 2.6 mm? -125.01 -55.27 1.59 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.34 0.518 . . . . 0.0 111.243 174.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.47 -12.43 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -167.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.628 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 2.3 mtmm . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.427 ' HE1' ' OG1' ' C' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.26 7.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.301 1.048 . . . . 0.0 108.944 174.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -139.44 131.63 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.338 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.55 148.81 44.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.095 0.474 . . . . 0.0 110.191 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -62.85 -17.94 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.385 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.01 -4.57 57.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -103.69 -15.53 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.415 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -112.58 -15.71 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -133.9 135.29 43.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.211 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.23 142.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' CB ' ' B' ' 16' ' ' GLU . . . -64.05 134.22 54.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.004 0.43 . . . . 0.0 110.371 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.636 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.94 165.57 4.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -170.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.636 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 61.9 Cg_exo -44.88 -35.21 9.58 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.171 2.581 . . . . 0.0 114.169 174.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -154.72 -25.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -165.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.507 ' HB3' ' CG1' ' B' ' 21' ' ' ILE . 20.5 p -117.31 44.62 2.07 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -171.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.98 26.18 2.2 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -170.304 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -13.54 0.43 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.3 -34.15 3.92 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.879 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.429 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.89 10.99 59.43 Favored Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.735 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.585 ' OE1' ' HA ' ' B' ' 25' ' ' PRO . 6.5 mm-40 -163.69 170.49 16.97 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -172.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.517 ' O ' ' HB ' ' B' ' 24' ' ' THR . 27.0 mt -137.52 122.69 24.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -174.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 57.93 43.2 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.739 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.57 5.33 29.54 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.517 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.08 140.21 29.54 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 114.182 -1.009 . . . . 0.0 110.967 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.585 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 18.3 Cg_endo -56.51 127.26 25.2 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.935 2.423 . . . . 0.0 112.394 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.46 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 53.2 t -80.94 137.89 49.95 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.46 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 69.7 Cg_exo -31.29 -56.66 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 125.916 4.411 . . . . 0.0 116.313 -178.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.52 -6.3 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.5 . . . . 0.0 111.83 -166.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 31.1 p -129.97 86.68 2.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -74.3 54.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.154 0.502 . . . . 0.0 111.946 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 100.3 50.32 1.34 Allowed Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.179 173.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' C' ' 49' ' ' LYS . 28.8 mtmm -125.97 -39.82 2.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.425 0.613 . . . . 0.0 110.044 175.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.726 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.33 -38.81 3.12 Favored Glycine 0 N--CA 1.437 -1.273 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.41 HG13 ' HA ' ' B' ' 11' ' ' ALA . 35.0 m -115.0 167.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.058 0.456 . . . . 0.0 111.705 -175.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.3 pt -127.3 160.49 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.718 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.421 HD21 HD22 ' B' ' 44' ' ' LEU . 4.6 mp -86.84 165.5 15.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.508 0.67 . . . . 0.0 112.543 -172.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.6 p -105.29 174.33 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.31 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.02 74.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.505 0.593 . . . . 0.0 111.791 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.21 -43.92 95.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 174.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.22 -30.22 71.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.964 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.526 ' HA ' HD22 ' B' ' 44' ' ' LEU . 12.9 m-85 -68.9 -34.2 75.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.571 0.224 . . . . 0.0 111.114 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.439 ' OG1' ' HE1' ' A' ' 1' ' ' FME . 25.9 m -70.79 -31.88 68.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.397 0.617 . . . . 0.0 110.335 175.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.554 ' O ' HG13 ' B' ' 47' ' ' ILE . 4.7 mp -86.92 -13.62 44.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.09 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.61 ' O ' HD12 ' B' ' 47' ' ' ILE . 0.3 OUTLIER -90.28 -43.39 10.4 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 120.644 -0.423 . . . . 0.0 109.957 -177.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.73 -18.73 62.12 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.418 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 64.7 t80 -75.29 -44.0 48.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.449 172.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.677 ' O ' HD21 ' B' ' 51' ' ' LEU . 1.6 pp -80.46 -22.57 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.104 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -57.28 -60.98 2.81 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.65 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 28.3 ttmt -77.45 -0.28 25.38 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.479 -166.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -118.08 -1.91 11.33 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 118.538 -1.265 . . . . 0.0 114.023 165.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.677 HD21 ' O ' ' B' ' 47' ' ' ILE . 2.6 mm? -125.6 -56.05 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.402 0.546 . . . . 0.0 111.117 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -109.7 -11.33 14.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -167.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.65 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 2.5 mtmm . . . . . 0 C--O 1.246 0.918 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.456 ' HE1' ' OG1' ' A' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.13 2.96 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.281 1.039 . . . . 0.0 108.844 175.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.03 131.94 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.408 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.77 149.15 44.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.166 0.508 . . . . 0.0 110.389 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -62.48 -17.9 60.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.402 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.67 -5.36 58.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -103.15 -15.83 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.52 -16.58 12.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.053 0.454 . . . . 0.0 110.813 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -133.25 134.09 43.52 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.368 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.15 142.45 43.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' C' ' 16' ' ' GLU . . . -64.07 133.96 54.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.034 0.445 . . . . 0.0 110.375 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.617 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -58.9 166.89 2.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -170.687 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.617 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 76.0 Cg_exo -47.37 -33.61 17.2 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.051 2.501 . . . . 0.0 114.021 173.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -154.84 -25.26 0.12 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -166.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.55 45.42 1.93 Allowed 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -172.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.718 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.07 27.02 1.7 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.139 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.9 -15.37 0.36 Allowed 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.99 -33.92 4.58 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.871 -177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.26 10.52 60.79 Favored Glycine 0 C--O 1.217 -0.953 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.518 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.595 ' OE1' ' HA ' ' C' ' 25' ' ' PRO . 6.6 mm-40 -162.83 169.49 19.76 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.538 ' O ' ' HB ' ' C' ' 24' ' ' THR . 21.2 mt -136.78 123.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 120.747 0.308 . . . . 0.0 110.394 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 55.62 46.46 22.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.975 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.93 11.25 50.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.122 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.538 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.6 m -126.87 139.74 35.78 Favored Pre-proline 0 C--N 1.303 -1.417 0 CA-C-N 114.066 -1.067 . . . . 0.0 111.494 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . 0.595 ' HA ' ' OE1' ' C' ' 20' ' ' GLU . 19.1 Cg_endo -56.98 126.43 22.19 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.958 2.438 . . . . 0.0 111.846 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.475 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 54.0 t -79.99 139.06 53.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.475 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 70.0 Cg_exo -30.79 -58.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 1 C-N-CA 125.996 4.464 . . . . 0.0 116.137 -179.443 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.6 -6.55 6.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.199 0.524 . . . . 0.0 111.696 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 31.2 p -128.99 85.54 2.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -74.1 54.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.091 0.472 . . . . 0.0 111.758 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.45 52.76 1.19 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.797 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 49' ' ' LYS . 29.7 mtmm -128.19 -41.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.286 0.543 . . . . 0.0 109.924 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.718 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.52 -38.83 3.08 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -176.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' C' ' 11' ' ' ALA . 35.5 m -114.91 167.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.034 0.445 . . . . 0.0 111.583 -175.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 pt -127.44 160.12 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.811 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.439 HD21 HD22 ' C' ' 44' ' ' LEU . 4.5 mp -86.73 165.13 16.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.301 0.572 . . . . 0.0 112.216 -172.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -105.2 175.67 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.599 0.636 . . . . 0.0 111.793 -176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.77 -43.51 97.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.628 0.252 . . . . 0.0 110.734 174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.23 72.02 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.906 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.52 ' HA ' HD22 ' C' ' 44' ' ' LEU . 13.7 m-85 -68.89 -34.92 76.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.501 0.191 . . . . 0.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.427 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 25.0 m -70.24 -31.54 68.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 0.0 110.248 176.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.576 ' O ' HG13 ' C' ' 47' ' ' ILE . 4.5 mp -87.17 -12.82 45.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.029 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.65 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.3 OUTLIER -91.18 -43.05 10.1 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.046 -177.055 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.56 -19.27 62.18 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.526 -0.734 . . . . 0.0 109.718 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.402 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 65.0 t80 -75.18 -43.77 50.28 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.324 173.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.672 ' O ' HD21 ' C' ' 51' ' ' LEU . 1.5 pp -80.32 -22.44 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.158 -178.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 75.2 mm-40 -57.5 -61.06 2.77 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 166.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.621 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.3 ttmt -77.47 -0.3 25.52 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.485 -166.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -118.13 -1.75 11.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 118.658 -1.217 . . . . 0.0 113.82 166.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.672 HD21 ' O ' ' C' ' 47' ' ' ILE . 2.6 mm? -125.49 -57.95 1.45 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.325 0.511 . . . . 0.0 110.817 174.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -108.1 -12.09 15.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -167.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.621 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 1.8 mtmm . . . . . 0 C--O 1.246 0.875 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.426 ' HE1' ' OG1' ' B' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -111.6 -24.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.47 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -123.73 138.76 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 -175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.15 160.49 23.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.504 173.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -66.47 -13.1 60.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.083 0.468 . . . . 0.0 110.763 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.67 -4.12 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.97 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -101.62 -7.36 22.78 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 110.646 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -114.71 -20.26 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.456 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -146.16 143.71 29.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.04 148.98 31.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.013 -174.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.493 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . . . -63.54 131.07 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.153 0.502 . . . . 0.0 111.15 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.811 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 t -67.51 156.94 87.45 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.811 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 44.4 Cg_exo -36.65 -37.77 0.31 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 123.747 2.965 . . . . 0.0 115.101 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -144.05 -30.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.97 44.22 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -165.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.06 24.77 2.69 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.333 -177.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.78 -7.56 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -173.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.26 -40.21 0.82 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.967 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.77 15.47 56.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.643 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -152.83 162.52 41.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.399 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.539 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.8 mt -140.29 121.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 58.19 43.17 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.867 0.73 . . . . 0.0 111.027 -174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.2 11.58 9.66 Favored Glycine 0 CA--C 1.504 -0.601 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.809 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.72 144.93 36.5 Favored Pre-proline 0 C--N 1.305 -1.34 0 CA-C-N 114.978 -0.611 . . . . 0.0 111.199 -170.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.45 126.33 22.14 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.981 2.454 . . . . 0.0 111.122 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.581 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 35.1 t -82.03 140.44 46.36 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.711 -166.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.581 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 78.5 Cg_exo -30.31 -58.23 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.22 1 C-N-CA 125.997 4.464 . . . . 0.0 116.145 -177.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.74 -4.69 7.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.668 -168.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 13.8 p -132.35 95.25 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -77.51 53.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.029 0.442 . . . . 0.0 111.456 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.06 41.77 3.69 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.273 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -111.36 -43.12 3.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.38 0.61 . . . . 0.0 109.401 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.477 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.67 -38.71 2.92 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -174.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.47 163.8 11.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 0.0 112.094 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 pt -123.51 161.1 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.062 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 HD21 HD23 ' A' ' 44' ' ' LEU . 3.7 mp -88.02 158.2 18.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.523 0.677 . . . . 0.0 112.386 -173.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -106.6 175.67 5.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.499 -1.228 . . . . 0.0 107.889 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.65 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -57.81 -43.55 85.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.12 0.486 . . . . 0.0 110.507 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.25 -29.33 73.19 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.934 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.534 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -70.01 -33.31 71.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.537 0.208 . . . . 0.0 111.188 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.447 ' OG1' ' HE1' ' C' ' 1' ' ' FME . 93.3 m -70.63 -32.06 69.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.692 175.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 47' ' ' ILE . 5.0 mp -86.08 -15.8 40.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.023 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -83.39 -41.6 17.97 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.997 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.12 -25.33 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.524 . . . . 0.0 110.705 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 68.9 t80 -74.81 -40.66 60.96 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.953 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.485 HG21 ' O ' ' A' ' 43' ' ' LEU . 19.2 pt -80.09 -27.38 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.773 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.8 mm-40 -55.3 -60.24 3.67 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.651 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 11.2 ttpp -78.88 2.02 21.51 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.594 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.409 ' CE1' HD22 ' C' ' 36' ' ' LEU . 70.8 m-70 -116.88 -2.13 11.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 117.842 -1.543 . . . . 0.0 114.569 164.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 47' ' ' ILE . 3.4 mm? -122.19 -50.63 2.01 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.562 0.619 . . . . 0.0 111.11 174.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.567 -168.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.651 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.7 mtmt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.393 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.454 ' HE1' ' OG1' ' C' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -107.65 -24.84 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.006 0.431 . . . . 0.0 111.619 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -123.7 139.18 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 159.8 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -64.0 -14.88 57.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.153 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -83.51 -4.15 58.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -101.88 -4.39 26.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.99 0.424 . . . . 0.0 110.587 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.414 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 94.4 mt -116.88 -20.6 9.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.147 0.499 . . . . 0.0 110.24 177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -145.88 145.74 30.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.52 149.53 29.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' B' ' 16' ' ' GLU . . . -63.05 130.53 45.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.248 0.547 . . . . 0.0 111.283 -176.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.85 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 38.8 t -65.84 157.04 81.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.084 0.954 . . . . 0.0 112.427 -169.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.85 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -37.24 -39.41 0.57 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.586 2.857 . . . . 0.0 114.831 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -142.6 -29.92 0.55 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -166.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 17.3 p -116.97 46.08 1.74 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -168.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 24.84 2.47 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 120.903 0.383 . . . . 0.0 109.995 -177.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.59 -14.37 0.44 Allowed 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -171.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.01 -41.66 1.78 Allowed 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.302 -0.863 . . . . 0.0 113.205 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.0 15.15 55.01 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.671 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.3 pt-20 -153.57 164.83 37.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.053 0.454 . . . . 0.0 110.258 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.55 ' O ' ' HB ' ' B' ' 24' ' ' THR . 21.9 mt -143.41 121.17 6.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 57.45 43.7 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.935 0.772 . . . . 0.0 110.619 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 12.84 8.93 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.692 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.98 143.1 36.05 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.677 -0.762 . . . . 0.0 110.803 -167.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.46 121.44 9.94 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.147 2.565 . . . . 0.0 111.598 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.444 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 53.8 t -76.58 139.38 67.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.19 -0.913 . . . . 0.0 113.191 -168.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.444 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 71.4 Cg_exo -28.62 -59.41 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 126.155 4.57 . . . . 0.0 116.266 -178.469 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.02 -9.37 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.363 0.602 . . . . 0.0 111.661 -167.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 28.7 p -131.02 96.08 3.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.3 t -79.65 53.85 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 111.219 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.68 3.05 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.843 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' B' ' 34' ' ' VAL . 46.7 mtmt -113.68 -44.06 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.07 -39.03 2.79 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -173.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 28.7 m -113.94 163.43 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 112.076 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.6 pt -123.75 160.42 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.809 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.473 HD21 HD23 ' B' ' 44' ' ' LEU . 3.7 mp -87.58 157.87 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.543 0.687 . . . . 0.0 112.527 -173.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -107.06 173.51 6.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.038 170.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.87 70.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -58.84 -43.71 90.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 110.667 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.06 -29.1 73.26 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.531 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -70.37 -33.03 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.78 -0.247 . . . . 0.0 111.37 177.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.426 ' OG1' ' HE1' ' A' ' 1' ' ' FME . 94.2 m -70.5 -31.64 68.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.245 0.545 . . . . 0.0 110.726 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.476 ' O ' HG21 ' B' ' 47' ' ' ILE . 4.9 mp -86.08 -17.87 33.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 -176.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.632 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -82.07 -40.88 21.34 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.136 178.7 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.03 -25.59 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.311 0.576 . . . . 0.0 110.69 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -74.81 -41.11 60.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.476 HG21 ' O ' ' B' ' 43' ' ' LEU . 18.9 pt -79.99 -27.3 12.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.747 -177.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.6 mm-40 -55.16 -60.43 3.39 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 166.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.647 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 11.9 ttpp -78.97 1.74 22.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.666 -166.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -116.49 -1.65 12.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.011 -1.475 . . . . 0.0 114.421 164.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.42 HD21 ' O ' ' B' ' 47' ' ' ILE . 3.4 mm? -122.59 -52.91 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.625 0.648 . . . . 0.0 110.979 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' B' ' 52' ' ' ASN . 0.2 OUTLIER -110.42 -18.24 13.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.573 -168.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.647 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.6 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.403 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.447 ' HE1' ' OG1' ' A' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -113.25 -22.29 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.39 138.92 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.35 160.63 23.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -65.57 -13.94 60.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.014 0.435 . . . . 0.0 111.063 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.34 -4.25 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.826 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -103.05 -3.29 26.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.0 mt -117.06 -20.44 9.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 0.0 110.259 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -145.71 145.83 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.425 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -134.27 148.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.201 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.481 ' HB3' ' HG2' ' C' ' 16' ' ' GLU . . . -63.42 130.71 45.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 0.0 111.173 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.899 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 12.4 t -67.82 157.42 86.57 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.899 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.5 Cg_exo -36.2 -39.92 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.824 3.016 . . . . 0.0 114.646 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -142.79 -28.74 0.57 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 4.8 p -115.74 43.84 2.02 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.481 ' HG2' ' HB3' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.8 24.17 2.83 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.002 0.43 . . . . 0.0 110.374 -177.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 -11.98 0.45 Allowed 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.48 -40.26 1.43 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.381 -0.827 . . . . 0.0 113.157 -172.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.95 57.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.422 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.7 pt-20 -152.27 165.58 34.45 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.11 -177.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.528 ' O ' ' HB ' ' C' ' 24' ' ' THR . 16.4 mt -143.77 122.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 173.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 58.13 42.95 21.42 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.889 0.743 . . . . 0.0 110.79 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.55 15.81 9.41 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.632 -176.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -122.52 144.18 41.6 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.26 -169.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.26 122.04 11.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.23 2.62 . . . . 0.0 111.484 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.567 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 43.9 t -80.49 139.17 51.38 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.974 -167.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.567 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 84.3 Cg_exo -28.73 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.076 1 C-N-CA 126.157 4.572 . . . . 0.0 116.449 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.75 -7.27 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.372 0.606 . . . . 0.0 111.671 -168.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.4 p -131.01 94.44 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 27.2 t -77.78 54.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.34 45.3 3.04 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.954 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' C' ' 34' ' ' VAL . 49.1 mtmt -113.47 -44.87 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.54 -38.86 2.81 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -173.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.408 ' O ' ' HE3' ' C' ' 32' ' ' LYS . 27.7 m -114.14 163.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 0.0 112.069 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.6 160.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.912 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.479 HD21 HD23 ' C' ' 44' ' ' LEU . 3.7 mp -87.69 158.04 18.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.586 0.708 . . . . 0.0 112.493 -173.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.8 173.73 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.104 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.66 70.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -57.14 -46.1 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.727 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -28.44 73.75 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.224 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.528 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -70.09 -33.47 71.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.752 -0.263 . . . . 0.0 111.092 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.454 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 97.7 m -70.22 -31.54 69.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.213 0.53 . . . . 0.0 110.853 173.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.45 ' O ' HG21 ' C' ' 47' ' ' ILE . 4.9 mp -86.03 -17.45 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 -177.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.613 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.29 -40.78 21.02 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.123 178.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.35 -25.48 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 0.0 110.799 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 69.3 t80 -74.76 -41.0 60.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.026 176.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.471 HG23 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.86 -27.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.803 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.613 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.1 -60.34 3.52 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 166.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.645 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 11.6 ttpp -79.18 1.89 22.93 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.629 -166.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -116.62 -2.39 11.96 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.844 -1.542 . . . . 0.0 114.428 164.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.41 HD21 ' O ' ' C' ' 47' ' ' ILE . 3.4 mm? -122.11 -51.5 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.479 0.657 . . . . 0.0 111.022 174.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.44 -18.83 12.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.67 -168.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.645 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.0 mtmt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.826 175.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 -7.81 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.481 0.658 . . . . 0.0 110.538 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.85 136.83 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.38 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.6 172.49 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 175.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 m -62.26 -24.95 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.265 0.555 . . . . 0.0 110.733 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.25 -3.67 55.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.444 -172.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.69 0.1 35.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 110.589 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 87.5 mt -125.2 -28.74 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' CD ' ' HE2' ' B' ' 50' ' ' HIS . 38.3 mt-10 -142.96 147.24 34.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.306 -177.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -127.57 140.15 49.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.571 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' HA ' HG11 ' A' ' 34' ' ' VAL . . . -65.23 137.48 57.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 111.164 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -59.46 169.72 1.25 Allowed Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -48.34 -37.6 32.62 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.985 2.457 . . . . 0.0 113.75 173.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -161.41 -13.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -167.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 23.0 p -117.16 43.31 2.34 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 119.051 0.841 . . . . 0.0 112.965 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.637 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -92.3 29.23 1.72 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.158 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.46 -18.52 0.33 Allowed 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -174.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.73 -29.42 1.51 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.489 -175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 80.86 26.43 53.52 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 120.599 -0.81 . . . . 0.0 114.273 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 5.7 pt-20 -138.54 159.89 40.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.564 0.697 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.525 ' O ' ' HB ' ' A' ' 24' ' ' THR . 47.9 mm -127.31 109.17 19.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.186 169.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 61.76 46.72 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.422 0.451 . . . . 0.0 111.372 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.58 -1.47 14.47 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.496 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.9 m -118.62 147.47 42.14 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 115.267 -0.466 . . . . 0.0 111.738 -168.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -55.15 125.43 19.15 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.295 2.664 . . . . 0.0 112.254 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 52.0 t -74.15 137.98 75.59 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -171.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -29.95 -54.26 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 126.327 4.685 . . . . 0.0 116.212 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.77 -9.64 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.748 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 26.8 p -132.05 98.79 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.786 0.326 . . . . 0.0 110.149 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.76 58.57 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.152 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.446 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 90.94 45.58 4.15 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.412 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -123.5 -39.96 2.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -171.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.637 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.21 -40.01 2.69 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 HG11 ' HA ' ' A' ' 11' ' ' ALA . 35.6 m -123.49 167.88 16.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 122.332 -0.511 . . . . 0.0 112.053 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.4 pt -130.61 163.95 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.357 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD22 HD22 ' A' ' 44' ' ' LEU . 3.6 mp -87.95 159.29 18.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -172.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -106.74 176.8 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.046 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.34 -46.53 69.55 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -57.73 -44.12 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.56 -29.7 72.93 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.845 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.529 ' HA ' HD22 ' A' ' 44' ' ' LEU . 13.4 m-85 -68.87 -33.12 73.27 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.856 -0.202 . . . . 0.0 111.201 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 m -71.94 -33.5 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.398 0.618 . . . . 0.0 110.486 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.46 -17.3 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.792 -174.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.529 HD22 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.39 -45.44 16.1 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.98 -20.46 61.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 110.541 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.186 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.566 ' O ' HD13 ' B' ' 51' ' ' LEU . 2.7 pp -78.24 -27.13 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.239 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.492 ' HA ' HD21 ' B' ' 51' ' ' LEU . 39.3 mm-40 -52.28 -59.92 3.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.765 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 18.1 ttmm -79.36 1.96 23.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.375 -166.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.731 ' O ' HD22 ' A' ' 51' ' ' LEU . 78.6 m-70 -115.49 -3.77 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 116.131 -2.228 . . . . 0.0 114.917 169.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD22 ' O ' ' A' ' 50' ' ' HIS . 20.7 mt -126.69 -37.21 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.073 0.851 . . . . 0.0 111.77 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -105.89 -33.46 7.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.366 0.603 . . . . 0.0 111.208 -172.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.765 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.0 mtmt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.765 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.52 -2.03 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.421 0.629 . . . . 0.0 110.508 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -134.92 137.22 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.273 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.18 171.43 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -60.67 -23.34 64.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 111.107 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.91 -5.8 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -172.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.01 1.07 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 110.842 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.2 mt -126.03 -27.76 3.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.125 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.428 ' CD ' ' HE2' ' C' ' 50' ' ' HIS . 39.5 mt-10 -142.79 148.86 37.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -177.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.31 140.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.511 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.475 ' HA ' HG11 ' B' ' 34' ' ' VAL . . . -65.56 137.22 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.252 0.548 . . . . 0.0 111.213 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.637 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.02 169.72 1.06 Allowed Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -173.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.637 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 70.4 Cg_exo -48.13 -36.87 29.69 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.228 2.619 . . . . 0.0 114.243 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.489 ' HB2' ' HZ2' ' B' ' 14' ' ' LYS . 0.1 OUTLIER -162.4 -13.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -167.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 18.2 p -117.19 44.06 2.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.831 1.196 . . . . 0.0 113.211 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.645 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -91.46 28.79 1.61 Allowed 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -177.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.03 -18.45 0.35 Allowed 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.68 -27.51 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.064 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.455 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 80.65 24.57 58.22 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.34 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.2 pt-20 -137.73 160.34 39.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.369 0.604 . . . . 0.0 110.49 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.489 ' O ' ' HB ' ' B' ' 24' ' ' THR . 46.5 mm -128.21 110.44 21.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 114.635 -1.166 . . . . 0.0 108.227 170.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 61.16 45.28 9.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.522 0.514 . . . . 0.0 111.197 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.7 0.13 23.43 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.891 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.7 m -120.51 146.21 42.57 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-N 114.913 -0.644 . . . . 0.0 110.752 -167.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.47 126.38 22.1 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.801 2.334 . . . . 0.0 112.599 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.1 t -74.41 136.34 75.18 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.252 -172.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -29.74 -53.04 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.061 1 C-N-CA 126.593 4.862 . . . . 0.0 116.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.26 -8.59 7.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.75 -167.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 30.4 p -133.39 98.35 4.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.163 0.506 . . . . 0.0 110.023 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -77.55 58.35 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.092 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.455 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 90.2 48.27 3.6 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.09 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -125.81 -39.98 2.08 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -172.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.645 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.1 -40.49 2.53 Favored Glycine 0 N--CA 1.431 -1.661 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' B' ' 11' ' ' ALA . 35.6 m -123.25 168.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.176 0.513 . . . . 0.0 112.109 -174.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 pt -131.46 163.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.273 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.468 HD22 HD22 ' B' ' 44' ' ' LEU . 3.6 mp -87.63 159.54 18.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.73 176.87 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.121 169.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.57 69.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.57 -44.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.568 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.416 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -68.16 -29.4 73.32 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.908 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.538 ' HA ' HD22 ' B' ' 44' ' ' LEU . 12.6 m-85 -68.85 -33.6 74.09 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.802 -0.234 . . . . 0.0 111.112 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -71.57 -33.38 69.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.452 0.644 . . . . 0.0 110.578 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.44 -16.87 35.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.803 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -81.74 -44.98 16.31 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.211 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.25 -22.0 61.3 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 110.502 -175.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.413 ' HZ ' ' O ' ' A' ' 40' ' ' GLY . 64.3 t80 -74.08 -43.59 57.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.128 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.55 ' O ' HD13 ' C' ' 51' ' ' LEU . 2.7 pp -78.45 -26.76 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.252 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.454 ' HA ' HD21 ' C' ' 51' ' ' LEU . 40.3 mm-40 -52.66 -59.85 3.97 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 166.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.774 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 17.1 ttmm -79.34 1.72 24.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.349 -166.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.738 ' O ' HD22 ' B' ' 51' ' ' LEU . 77.7 m-70 -115.52 -3.11 12.39 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 115.993 -2.283 . . . . 0.0 115.225 169.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.738 HD22 ' O ' ' B' ' 50' ' ' HIS . 21.6 mt -127.35 -36.57 2.1 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.054 0.843 . . . . 0.0 111.831 168.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.05 -33.51 7.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.164 0.507 . . . . 0.0 111.185 -172.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.774 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.423 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -105.88 -3.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.615 0.721 . . . . 0.0 110.412 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.05 136.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.271 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.28 170.7 9.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.456 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.8 m -59.06 -24.0 62.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.099 0.476 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.65 -6.03 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -172.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.29 -0.31 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.705 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.28 -28.36 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.293 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . 0.434 ' CD ' ' HE2' ' A' ' 50' ' ' HIS . 39.1 mt-10 -142.89 147.72 35.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.237 0.541 . . . . 0.0 110.384 -177.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.91 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.473 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.492 ' HA ' HG11 ' C' ' 34' ' ' VAL . . . -65.18 137.77 57.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.076 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.88 168.54 1.42 Allowed Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -47.37 -38.12 26.22 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.201 2.6 . . . . 0.0 113.723 173.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . 0.521 ' HB2' ' HZ2' ' C' ' 14' ' ' LYS . 0.1 OUTLIER -161.89 -10.96 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.772 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 17.7 p -114.92 41.13 2.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 118.388 -1.325 . . . . 0.0 114.041 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.641 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.08 28.78 1.52 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -176.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.7 -19.59 0.37 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -176.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.81 -27.22 1.91 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.309 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . 0.444 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 79.67 25.8 57.77 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.41 -0.9 . . . . 0.0 114.034 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.8 pt-20 -137.86 161.49 36.48 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.449 0.643 . . . . 0.0 110.645 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.542 ' O ' ' HB ' ' C' ' 24' ' ' THR . 47.9 mm -129.03 110.29 20.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.222 169.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.44 46.85 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.622 0.576 . . . . 0.0 111.411 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.26 1.26 26.71 Favored Glycine 0 CA--C 1.51 -0.241 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.553 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 2.0 m -121.86 146.82 46.98 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.596 -0.802 . . . . 0.0 111.158 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -54.77 130.82 42.52 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.807 2.338 . . . . 0.0 111.77 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.6 t -79.86 138.47 53.79 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.373 -171.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 63.7 Cg_exo -29.74 -53.54 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.193 1 C-N-CA 125.748 4.299 . . . . 0.0 116.114 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.73 -8.08 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.684 -167.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.508 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 19.9 p -132.14 94.77 3.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -77.42 57.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.939 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . 0.444 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 90.21 51.44 2.77 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -127.45 -41.17 1.74 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -173.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.641 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.49 -40.1 2.64 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.492 HG11 ' HA ' ' C' ' 11' ' ' ALA . 35.7 m -123.97 168.78 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.129 0.49 . . . . 0.0 112.253 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.59 164.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.403 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.47 HD22 HD22 ' C' ' 44' ' ' LEU . 3.6 mp -88.0 160.05 18.04 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.93 176.43 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.115 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.61 -47.15 67.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -57.29 -44.28 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 -29.54 72.62 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.928 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.523 ' HA ' HD22 ' C' ' 44' ' ' LEU . 13.8 m-85 -68.96 -33.22 73.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.839 -0.212 . . . . 0.0 111.11 177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 16.6 m -71.99 -33.35 68.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.445 0.64 . . . . 0.0 110.642 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.24 -17.02 35.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.774 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.523 HD22 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -81.67 -45.33 15.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.199 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.01 -20.58 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.574 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.416 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 64.4 t80 -74.37 -43.66 55.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.126 173.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.571 ' O ' HD13 ' A' ' 51' ' ' LEU . 2.7 pp -78.31 -26.86 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.321 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.454 ' HA ' HD21 ' A' ' 51' ' ' LEU . 40.7 mm-40 -52.71 -59.62 4.25 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 166.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.761 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 17.5 ttmm -79.4 1.63 24.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.492 -166.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . 0.748 ' O ' HD22 ' C' ' 51' ' ' LEU . 79.1 m-70 -115.42 -3.06 12.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 115.995 -2.282 . . . . 0.0 114.911 169.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.748 HD22 ' O ' ' C' ' 50' ' ' HIS . 21.9 mt -127.37 -37.5 2.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.085 0.857 . . . . 0.0 111.814 168.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -106.17 -31.21 8.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.181 0.515 . . . . 0.0 111.462 -171.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.761 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 10.6 mtmt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.998 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.513 ' SD ' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -106.55 9.37 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.684 0.754 . . . . 0.0 110.107 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -143.19 140.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.731 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.07 165.44 14.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -67.15 -13.53 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.502 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.58 -5.55 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.428 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -101.6 4.11 40.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.23 0.538 . . . . 0.0 109.999 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 96.0 mt -125.98 -30.9 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.846 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -149.0 153.04 37.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.686 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.05 148.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.06 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -64.8 131.69 47.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.932 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.8 t -60.19 161.3 13.48 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.342 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.932 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 67.6 Cg_exo -44.03 -36.41 8.45 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.063 2.509 . . . . 0.0 114.271 172.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -147.19 -36.76 0.22 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -163.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.73 46.55 1.28 Allowed 'General case' 0 C--O 1.249 1.036 0 C-N-CA 117.828 -1.549 . . . . 0.0 114.209 -169.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -88.72 27.63 1.28 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -147.84 -28.64 0.34 Allowed 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -164.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.45 -37.17 3.55 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.476 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.471 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 92.3 19.51 38.54 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.946 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -170.42 171.17 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.1 mt -140.03 124.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 49.75 47.88 22.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.122 0.889 . . . . 0.0 111.23 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.51 6.84 51.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.686 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 151.3 65.12 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.19 129.12 32.6 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 123.17 2.58 . . . . 0.0 111.599 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.491 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 39.2 t -86.21 141.49 35.03 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.509 -170.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.491 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 72.0 Cg_exo -26.39 -59.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.056 1 C-N-CA 126.47 4.78 . . . . 0.0 116.385 -177.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.71 -2.29 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.48 0.657 . . . . 0.0 111.615 -167.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 p -131.08 88.33 2.59 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -76.14 57.66 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.291 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 93.43 41.14 4.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.504 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -117.58 -43.73 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.627 0.727 . . . . 0.0 109.431 -177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.36 -39.4 2.9 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -113.13 164.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 112.09 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.6 pt -123.66 158.14 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.901 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD23 ' NE2' ' B' ' 50' ' ' HIS . 1.5 mt -86.57 150.6 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.95 172.73 6.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.469 -1.241 . . . . 0.0 108.196 168.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -52.98 -43.65 66.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -174.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.98 -44.49 91.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.28 -29.72 73.3 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.45 ' HA ' HD21 ' A' ' 44' ' ' LEU . 13.9 m-85 -68.85 -36.21 77.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.419 0.152 . . . . 0.0 111.129 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.418 ' OG1' ' HE1' ' C' ' 1' ' ' FME . 16.5 m -69.98 -34.03 72.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.274 0.559 . . . . 0.0 111.251 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.6 mp -86.02 -15.96 39.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.984 -175.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -83.91 -39.48 19.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.255 -179.48 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.33 -27.28 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.792 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 74.8 t80 -75.49 -37.58 60.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.672 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 43' ' ' LEU . 25.7 pt -78.27 -35.34 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 18.7 mm-40 -50.72 -60.75 2.73 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.337 0.589 . . . . 0.0 109.567 171.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.643 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 25.5 ttpt -77.14 1.34 18.55 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.048 -166.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.718 ' O ' HD21 ' A' ' 51' ' ' LEU . 72.1 m-70 -115.11 -9.0 12.38 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 117.372 -1.731 . . . . 0.0 114.803 166.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 50' ' ' HIS . 33.9 mt -132.95 -24.05 1.94 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.706 1.139 . . . . 0.0 113.096 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.7 -22.09 3.96 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.046 0.45 . . . . 0.0 111.923 -174.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.643 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.483 ' SD ' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -105.42 9.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.74 0.781 . . . . 0.0 110.18 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.89 139.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.592 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.86 166.13 13.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -67.11 -12.88 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.508 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 -6.46 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.28 3.56 40.89 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.088 0.47 . . . . 0.0 110.337 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.1 mt -125.13 -31.16 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.732 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -149.15 153.39 37.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.702 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.69 147.57 28.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.238 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' B' ' 16' ' ' GLU . . . -64.84 134.91 55.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 111.075 -177.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.661 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -64.06 163.06 25.87 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 113.621 -170.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.661 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 68.0 Cg_exo -47.09 -36.08 20.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.354 2.702 . . . . 0.0 114.268 174.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -149.52 -30.87 0.23 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -164.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.423 ' HB3' ' CG1' ' B' ' 21' ' ' ILE . 26.1 p -116.53 43.36 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -169.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.11 27.18 1.68 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -176.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -148.43 -28.07 0.31 Allowed 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -162.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.23 -36.65 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.127 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.49 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 91.34 21.47 34.92 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.695 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.48 172.25 6.1 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 123.06 0.544 . . . . 0.0 109.556 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . 0.423 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 14.7 mt -141.9 123.71 13.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 48.79 51.27 16.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.623 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.66 13.93 59.62 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.749 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.32 148.06 68.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.785 -172.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.84 129.11 32.83 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.303 2.669 . . . . 0.0 111.753 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.451 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 41.4 t -85.7 140.4 35.64 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.863 -169.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.451 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 88.8 Cg_exo -26.57 -58.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 1 C-N-CA 126.428 4.752 . . . . 0.0 116.91 -177.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.35 -2.32 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.388 0.613 . . . . 0.0 111.312 -167.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 28.4 p -130.76 89.74 2.8 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -78.59 57.98 2.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.092 0.472 . . . . 0.0 111.699 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 92.63 41.57 4.71 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.396 176.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -117.01 -43.84 2.84 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.86 -39.61 2.84 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -175.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -112.73 165.3 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 112.123 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.591 HG23 ' SG ' ' B' ' 12' ' ' CYS . 12.3 pt -123.66 158.07 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.459 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.478 HD23 ' NE2' ' C' ' 50' ' ' HIS . 1.6 mt -86.36 149.53 24.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.152 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -107.22 171.76 7.2 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.421 169.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.513 ' HB1' ' SD ' ' A' ' 1' ' ' FME . . . -51.93 -43.44 63.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.28 -45.86 87.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.02 -27.19 73.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.797 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.436 ' HA ' HD21 ' B' ' 44' ' ' LEU . 14.1 m-85 -68.64 -33.88 74.77 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.778 -0.248 . . . . 0.0 110.657 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' THR . . . . . 0.407 ' OG1' ' HE1' ' A' ' 1' ' ' FME . 25.4 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.302 0.572 . . . . 0.0 110.689 177.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.604 ' O ' HG23 ' B' ' 47' ' ' ILE . 5.6 mp -85.67 -19.12 31.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.283 -175.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' B' ' 41' ' ' TYR . 1.3 pp -81.62 -38.53 25.85 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.738 -0.601 . . . . 0.0 110.646 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.31 -28.25 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 77.7 t80 -75.17 -37.0 61.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.723 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.604 HG23 ' O ' ' B' ' 43' ' ' LEU . 25.1 pt -78.56 -36.26 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.674 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.508 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 21.1 mm-40 -49.7 -60.99 2.38 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 121.361 0.601 . . . . 0.0 109.714 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.658 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 24.7 ttpt -77.0 1.17 18.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.17 -166.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.754 ' O ' HD21 ' B' ' 51' ' ' LEU . 62.1 m-70 -115.57 -8.14 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 117.373 -1.731 . . . . 0.0 114.781 167.117 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.754 HD21 ' O ' ' B' ' 50' ' ' HIS . 34.3 mt -133.9 -21.95 1.87 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.719 1.145 . . . . 0.0 113.07 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.94 -24.61 3.45 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.071 0.462 . . . . 0.0 111.797 -175.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.658 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 3.3 mtmm . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' FME . . . . . 0.429 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -105.89 7.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.743 0.782 . . . . 0.0 110.038 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -141.36 139.63 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 168.91 10.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -69.72 -13.18 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.183 0.516 . . . . 0.0 110.478 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.52 -5.77 58.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.303 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -101.66 5.1 41.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.151 0.5 . . . . 0.0 110.077 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 96.0 mt -127.16 -31.44 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -148.85 154.45 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.623 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.34 146.54 28.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.378 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' C' ' 34' ' ' VAL . . . -64.74 134.55 54.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.052 0.453 . . . . 0.0 110.948 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . 0.737 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -65.28 163.89 28.28 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . 0.737 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 63.2 Cg_exo -45.15 -38.14 14.0 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.302 2.668 . . . . 0.0 114.313 173.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -146.66 -31.36 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -165.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.432 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 7.2 p -115.87 42.78 2.25 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -167.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.52 26.48 1.98 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.608 0.718 . . . . 0.0 109.184 -177.631 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -148.14 -23.71 0.35 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -163.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.97 -37.93 2.67 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.978 -174.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . 0.536 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 89.69 21.45 40.09 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.375 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.23 172.55 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . 0.432 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 14.5 mt -142.38 124.95 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 48.48 49.85 17.67 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 124.337 1.023 . . . . 0.0 111.028 -173.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.15 13.71 60.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.64 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.01 148.09 68.21 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.73 129.06 32.61 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.199 2.599 . . . . 0.0 111.368 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.7 t -87.12 142.09 33.47 Favored Pre-proline 0 C--N 1.313 -1.005 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.701 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . 0.668 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 79.0 Cg_exo -28.02 -59.02 0.1 Allowed 'Trans proline' 0 C--N 1.364 1.361 1 C-N-CA 126.573 4.849 . . . . 0.0 116.675 -176.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.53 -1.79 6.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.558 0.694 . . . . 0.0 111.365 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 30.5 p -130.25 86.98 2.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.247 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -77.09 57.24 1.36 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.033 0.444 . . . . 0.0 111.867 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 93.88 43.12 3.94 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.679 176.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -119.08 -43.97 2.62 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.442 0.639 . . . . 0.0 109.62 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.84 -39.24 2.94 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -113.39 165.12 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.08 0.467 . . . . 0.0 112.067 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . 0.598 HG23 ' SG ' ' C' ' 12' ' ' CYS . 10.7 pt -123.82 158.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.42 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.486 HD23 ' NE2' ' A' ' 50' ' ' HIS . 1.6 mt -86.88 149.56 24.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.153 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.89 171.68 7.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.25 169.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . 0.483 ' HB1' ' SD ' ' B' ' 1' ' ' FME . . . -51.78 -43.95 63.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -173.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.62 -47.23 82.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.283 . . . . 0.0 110.983 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -27.8 73.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.85 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.422 ' HA ' HD21 ' C' ' 44' ' ' LEU . 12.9 m-85 -68.91 -34.39 75.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.494 0.188 . . . . 0.0 110.755 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.411 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 26.3 m -72.96 -33.13 65.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.401 0.619 . . . . 0.0 110.728 177.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.617 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.8 mp -85.5 -19.79 30.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.295 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' C' ' 41' ' ' TYR . 1.2 pp -80.37 -38.63 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.449 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.6 -28.0 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 111.012 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 74.1 t80 -75.22 -37.85 60.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.703 177.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.617 HG23 ' O ' ' C' ' 43' ' ' LEU . 25.9 pt -78.22 -34.53 18.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.79 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.508 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 19.8 mm-40 -51.49 -60.51 3.06 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.51 171.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.66 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 24.7 ttpt -77.45 0.89 20.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.705 -1.134 . . . . 0.0 112.249 -165.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . 0.704 ' O ' HD21 ' C' ' 51' ' ' LEU . 67.9 m-70 -115.04 -8.54 12.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 117.38 -1.728 . . . . 0.0 114.634 167.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.704 HD21 ' O ' ' C' ' 50' ' ' HIS . 33.2 mt -132.05 -27.68 1.81 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.597 1.09 . . . . 0.0 112.921 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.67 -22.87 5.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.184 0.516 . . . . 0.0 111.849 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.66 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.315 -0.915 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 11.9 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.739 0.781 . . . . 0.0 109.797 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -152.56 134.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.559 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.87 162.46 19.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.1 m -58.03 -28.72 64.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.439 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.64 -1.96 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -168.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.06 -21.5 14.44 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.194 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.84 -18.67 11.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.3 . . . . 0.0 111.395 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' OE2' ' HD2' ' B' ' 49' ' ' LYS . 52.2 mt-10 -130.18 133.44 46.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.284 0.564 . . . . 0.0 109.608 176.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.09 139.93 50.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' A' ' 16' ' ' GLU . . . -65.32 138.24 58.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' HG23 ' A' ' 35' ' ' ILE . 7.6 m -56.69 167.44 1.02 Allowed Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.87 -36.89 54.26 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.024 2.483 . . . . 0.0 112.7 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -146.99 -30.77 0.34 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -166.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.42 42.21 2.3 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.5 31.29 1.04 Allowed 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -146.93 -27.66 0.39 Allowed 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -165.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.94 -28.96 1.16 Allowed 'General case' 0 C--N 1.339 0.135 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.277 -172.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.03 24.03 53.6 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.236 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -146.67 159.8 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.786 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mm -124.05 101.86 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 62.74 51.27 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.614 0.571 . . . . 0.0 111.621 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.65 9.06 11.25 Favored Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.622 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.9 145.86 38.83 Favored Pre-proline 0 N--CA 1.437 -1.089 0 CA-C-N 115.633 -0.283 . . . . 0.0 110.583 -174.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 128.62 31.0 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.265 2.643 . . . . 0.0 112.065 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 52.1 t -84.68 136.12 39.72 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.841 -170.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.1 Cg_exo -28.43 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.086 1 C-N-CA 126.456 4.771 . . . . 0.0 116.83 -176.406 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.93 0.49 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -163.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.414 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 26.1 p -123.8 -13.97 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.172 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m 40.57 38.89 0.65 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.14 43.5 4.06 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 119.933 -1.127 . . . . 0.0 113.406 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 48.6 mtmt -126.13 -36.64 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.379 . . . . 0.0 110.163 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 113.95 -38.81 3.03 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.459 -0.657 . . . . 0.0 111.459 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 11' ' ' ALA . 34.2 m -119.26 167.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 0.0 112.013 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.437 HG23 ' SG ' ' A' ' 12' ' ' CYS . 21.8 pt -130.48 167.75 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.733 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD22 ' CZ ' ' B' ' 46' ' ' PHE . 1.7 mp -87.51 163.95 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.419 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 63.2 p -105.92 177.08 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.111 170.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.02 -44.68 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.595 0.634 . . . . 0.0 111.844 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -58.95 -43.3 91.26 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.765 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.52 76.56 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.893 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.53 ' HA ' HD21 ' A' ' 44' ' ' LEU . 10.1 m-85 -70.72 -33.22 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.903 -0.175 . . . . 0.0 111.455 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -69.24 -33.4 73.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.494 0.664 . . . . 0.0 110.225 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -85.78 -16.15 39.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.439 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -81.77 -41.69 20.82 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.183 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.91 -23.13 62.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 110.584 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.523 ' CZ ' HD22 ' C' ' 36' ' ' LEU . 60.5 t80 -75.38 -40.92 57.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.241 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 HG22 HG21 ' B' ' 47' ' ' ILE . 19.0 pt -80.01 -25.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.562 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 85.8 mm-40 -58.41 -59.43 5.37 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 165.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HD2' ' OE2' ' C' ' 9' ' ' GLU . 28.0 ttmt -78.57 -4.37 48.45 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.311 -164.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -117.67 -1.05 11.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 117.741 -1.584 . . . . 0.0 114.09 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD22 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -118.84 -51.23 2.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.414 0.626 . . . . 0.0 111.03 170.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.96 -28.52 9.54 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.51 -166.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 19.9 mtmt . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.075 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' FME . . . . . 0.436 ' HE1' ' OG1' ' C' ' 42' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.48 12.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.665 0.745 . . . . 0.0 109.644 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -152.92 134.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.693 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.01 163.3 18.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.773 0.32 . . . . 0.0 111.198 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -58.53 -29.54 66.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.48 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.31 0.17 42.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -168.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.75 -22.81 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.148 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.17 -18.42 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.468 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' C' ' 49' ' ' LYS . 54.0 mt-10 -130.15 133.23 46.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.408 0.623 . . . . 0.0 109.68 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.55 139.35 51.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.851 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' B' ' 16' ' ' GLU . . . -64.61 137.64 57.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' B' ' 35' ' ' ILE . 15.0 m -55.6 167.85 0.71 Allowed Pre-proline 0 N--CA 1.464 0.233 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -172.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -52.78 -32.45 55.89 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.312 2.675 . . . . 0.0 113.037 171.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -150.82 -30.18 0.19 Allowed 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 24.1 p -114.86 41.97 2.27 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.479 ' HG2' ' HB2' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.18 31.57 0.99 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -148.17 -28.98 0.32 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -165.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.06 -29.98 1.24 Allowed 'General case' 0 C--N 1.341 0.232 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.73 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 21.56 53.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.063 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.8 pt-20 -145.81 161.12 40.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.916 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -124.98 101.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.63 51.14 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.697 0.623 . . . . 0.0 111.668 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 8.9 10.77 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.729 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.81 146.08 39.24 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.746 -0.227 . . . . 0.0 110.408 -174.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.81 128.35 29.93 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.223 2.615 . . . . 0.0 112.14 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . 0.442 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 49.1 t -84.1 134.49 43.48 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.548 -170.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.442 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.2 Cg_exo -27.66 -57.27 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.838 1 C-N-CA 126.383 4.722 . . . . 0.0 117.009 -175.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.04 0.14 5.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 -163.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . 0.408 ' O ' ' HE2' ' B' ' 32' ' ' LYS . 25.6 p -124.07 -12.96 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.138 -1.025 . . . . 0.0 112.414 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 40.36 39.06 0.63 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.93 45.55 3.58 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.427 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.489 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 45.6 mtmt -128.16 -36.32 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.819 0.342 . . . . 0.0 110.271 179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.63 -38.71 3.09 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.419 HG13 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -119.75 166.33 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.473 . . . . 0.0 112.131 -175.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.451 HG23 ' SG ' ' B' ' 12' ' ' CYS . 25.7 pt -129.71 168.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.728 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' C' ' 46' ' ' PHE . 1.9 mp -87.25 165.04 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.604 0.716 . . . . 0.0 112.869 -174.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.414 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.4 p -106.22 177.15 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.07 170.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.78 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.485 0.584 . . . . 0.0 111.675 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -58.8 -42.83 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.658 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -30.65 75.99 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.844 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' B' ' 44' ' ' LEU . 9.4 m-85 -70.76 -33.09 70.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.877 -0.19 . . . . 0.0 111.426 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.7 m -69.12 -33.38 73.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.673 . . . . 0.0 110.262 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.84 -16.2 39.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -81.85 -41.79 20.52 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.298 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -71.11 -22.55 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.62 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.55 ' CZ ' HD22 ' A' ' 36' ' ' LEU . 61.3 t80 -75.44 -41.61 55.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.314 174.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.481 HG12 ' HA ' ' B' ' 44' ' ' LEU . 18.5 pt -79.97 -26.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.489 -177.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.4 mm-40 -58.04 -59.4 5.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.297 0.57 . . . . 0.0 109.482 165.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.49 ' HG2' ' HD2' ' A' ' 32' ' ' LYS . 27.4 ttmt -78.08 -4.53 47.8 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.235 -164.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -117.45 -1.04 11.79 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 117.855 -1.538 . . . . 0.0 114.476 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.414 HD22 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -120.07 -47.4 2.38 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.36 0.6 . . . . 0.0 111.41 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.01 -30.11 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.305 -167.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.445 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.722 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -106.38 12.45 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.812 0.815 . . . . 0.0 109.815 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -153.05 134.46 5.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 161.93 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.4 m -57.22 -29.25 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.637 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -81.99 -0.78 45.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -169.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -101.71 -22.58 14.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.02 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.03 -18.85 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.665 0.269 . . . . 0.0 111.529 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . 0.486 ' OE2' ' HD2' ' A' ' 49' ' ' LYS . 52.9 mt-10 -130.55 132.42 45.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.381 0.61 . . . . 0.0 109.784 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.68 140.38 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' C' ' 16' ' ' GLU . . . -65.24 137.5 57.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.599 -178.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.36 167.58 0.7 Allowed Pre-proline 0 C--N 1.332 -0.169 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -173.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.71 -32.87 57.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.938 2.425 . . . . 0.0 112.925 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -150.49 -30.22 0.2 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -167.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 29.1 p -116.07 44.03 2.02 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 31.46 1.03 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -147.72 -28.59 0.34 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -164.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.04 -28.9 1.32 Allowed 'General case' 0 C--N 1.342 0.248 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.519 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.22 22.95 53.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.128 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 5.4 pt-20 -146.75 160.2 42.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.064 0.459 . . . . 0.0 110.839 -175.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -124.36 101.91 9.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 63.21 50.98 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.632 0.582 . . . . 0.0 111.439 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.37 9.17 10.96 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 119.951 -1.119 . . . . 0.0 112.877 -176.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.87 147.31 42.1 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-O 120.562 0.22 . . . . 0.0 110.822 -174.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -55.83 128.09 28.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.149 2.566 . . . . 0.0 111.927 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -83.27 136.12 43.62 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -28.63 -58.56 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 126.238 4.626 . . . . 0.0 116.628 -177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 1.05 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -164.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 31.4 p -123.65 -12.65 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.425 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m 38.47 38.82 0.26 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.73 42.69 4.39 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 119.967 -1.111 . . . . 0.0 113.383 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.466 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 48.1 mtmt -125.52 -35.36 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.302 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.97 -39.23 2.92 Favored Glycine 0 N--CA 1.435 -1.406 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.64 166.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.971 -175.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 24.9 pt -129.8 168.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.61 175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.523 HD22 ' CZ ' ' A' ' 46' ' ' PHE . 1.8 mp -87.26 164.79 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.784 0.802 . . . . 0.0 112.818 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.5 p -106.22 175.94 5.33 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.105 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.71 -45.15 77.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.437 0.562 . . . . 0.0 111.941 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -58.93 -42.54 90.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.739 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.77 -31.09 77.34 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.807 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . 0.531 ' HA ' HD21 ' C' ' 44' ' ' LEU . 9.7 m-85 -70.39 -32.61 70.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.959 -0.142 . . . . 0.0 111.276 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' THR . . . . . 0.436 ' OG1' ' HE1' ' B' ' 1' ' ' FME . 45.0 m -69.85 -33.76 72.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.421 0.629 . . . . 0.0 110.349 174.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.46 -17.4 36.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.217 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -80.27 -42.3 23.39 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.799 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.08 -23.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.0 110.739 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' B' ' 36' ' ' LEU . 62.5 t80 -75.39 -41.6 55.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.226 174.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.458 HG22 HG21 ' A' ' 47' ' ' ILE . 19.6 pt -79.9 -25.71 12.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.433 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.2 mm-40 -58.66 -58.81 6.94 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 165.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.489 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 28.9 ttmt -78.42 -4.57 48.95 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.193 -164.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -117.58 -0.78 11.79 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 118.05 -1.46 . . . . 0.0 114.297 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . 0.413 HD22 ' CG1' ' B' ' 47' ' ' ILE . 3.6 mm? -120.21 -47.21 2.38 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.453 0.644 . . . . 0.0 111.467 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.7 -29.26 7.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.405 -166.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 17.9 mtmt . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.623 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 121.355 0.598 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -113.77 131.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.96 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.93 150.0 43.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.055 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.17 -15.15 55.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.515 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -6.95 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.76 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.26 -10.41 17.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.159 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD2' HD22 ' A' ' 43' ' ' LEU . 6.2 mp -119.39 -23.05 6.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.84 0.352 . . . . 0.0 111.02 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -130.05 130.34 44.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.42 139.77 50.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.669 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.65 131.97 49.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.065 0.46 . . . . 0.0 110.838 -176.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.85 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.62 165.91 5.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 124.132 0.973 . . . . 0.0 112.676 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.85 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 62.2 Cg_exo -46.45 -34.7 15.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.201 2.601 . . . . 0.0 114.291 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.54 -31.88 0.25 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -165.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.3 p -116.74 45.66 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.669 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.94 28.64 1.52 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -147.77 -21.32 0.36 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -165.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.17 -31.81 0.81 Allowed 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.904 -174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.95 26.46 37.42 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.652 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.575 ' O ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -135.06 -156.64 0.74 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 122.571 0.348 . . . . 0.0 110.131 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.647 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.0 mm -174.93 95.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 59.88 48.02 9.41 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.53 0.519 . . . . 0.0 110.517 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.63 1.57 17.32 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.458 -0.877 . . . . 0.0 113.012 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -119.26 146.19 40.2 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-N 114.66 -0.77 . . . . 0.0 111.042 -168.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 24' ' ' THR . 19.1 Cg_endo -54.14 120.5 8.06 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.488 2.792 . . . . 0.0 112.821 -176.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 45.0 t -69.94 136.19 87.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' HG13 ' A' ' 21' ' ' ILE . 57.2 Cg_exo -34.76 -58.62 0.37 Allowed 'Trans proline' 0 C--N 1.355 0.909 1 C-N-CA 125.746 4.297 . . . . 0.0 116.135 -178.039 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.57 -7.47 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -163.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 19.9 p -130.16 92.97 3.38 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 p -68.12 51.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.44 46.49 3.23 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.441 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HG2' ' HG2' ' B' ' 49' ' ' LYS . 2.1 mppt? -121.34 -35.87 3.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 109.774 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.73 -38.93 3.08 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 11' ' ' ALA . 30.7 m -112.06 161.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.966 0.412 . . . . 0.0 111.238 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.1 pt -124.33 161.89 26.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.848 174.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.475 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -89.91 164.36 14.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.646 0.736 . . . . 0.0 112.635 -172.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.06 -178.28 3.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.451 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.43 98.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.631 0.65 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -60.72 -44.04 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.642 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -32.05 78.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.67 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.574 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.2 m-85 -70.51 -31.83 69.08 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.067 0.147 . . . . 0.0 111.222 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -70.3 -30.34 67.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.288 0.566 . . . . 0.0 109.937 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.2 mp -86.52 -24.91 25.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.486 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -78.87 -41.81 28.96 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.7 -22.78 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.384 0.611 . . . . 0.0 110.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 51.3 t80 -74.79 -40.34 61.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.57 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.723 HG22 HG21 ' C' ' 47' ' ' ILE . 24.0 pt -78.11 -34.3 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.085 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' HB2' ' A' ' 53' ' ' LYS . 44.2 mm-40 -50.38 -64.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.719 170.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -77.23 -0.33 24.83 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.012 -162.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.687 ' O ' HD23 ' A' ' 51' ' ' LEU . 28.0 m80 -115.73 -5.27 12.12 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.67 -1.612 . . . . 0.0 113.517 168.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -127.89 -47.96 1.37 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.545 0.611 . . . . 0.0 111.998 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.88 -23.55 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.944 0.402 . . . . 0.0 112.003 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.613 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 7.5 mtmt . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.033 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.345 0.593 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -111.78 131.58 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.911 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.91 151.82 41.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.068 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -65.68 -14.15 60.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.26 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.54 -8.04 59.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.36 -11.8 17.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.309 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.439 ' CD2' HD22 ' B' ' 43' ' ' LEU . 6.2 mp -118.26 -22.54 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.87 130.47 43.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.14 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.69 140.08 49.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.668 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.79 132.46 50.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.121 0.486 . . . . 0.0 110.824 -177.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.861 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.45 166.08 6.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.764 -169.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.861 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 60.6 Cg_exo -46.63 -35.41 16.99 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.002 2.468 . . . . 0.0 114.165 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -148.69 -29.71 0.28 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -166.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.749 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 8.2 p -115.76 43.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -167.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.668 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 28.74 1.42 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -148.81 -24.0 0.31 Allowed 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -165.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 -31.08 0.9 Allowed 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.621 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.36 25.37 39.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.425 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -142.04 163.87 31.7 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.424 0.63 . . . . 0.0 111.116 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.621 ' O ' ' HB ' ' B' ' 24' ' ' THR . 34.9 mm -125.23 103.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 169.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.37 49.39 4.2 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.704 0.627 . . . . 0.0 110.779 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 3.49 22.45 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.842 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -120.61 143.86 37.28 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-N 114.476 -0.862 . . . . 0.0 111.245 -167.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -53.38 124.78 16.54 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.191 2.594 . . . . 0.0 112.322 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.458 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 42.0 t -77.59 138.37 62.91 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.317 -0.856 . . . . 0.0 113.032 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 64.3 Cg_exo -34.7 -59.4 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.972 1 C-N-CA 125.573 4.182 . . . . 0.0 116.056 -177.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.19 -7.37 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.833 -163.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.4 p -130.21 94.01 3.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.4 53.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.63 41.67 4.38 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.617 172.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.501 ' HG2' ' HG2' ' C' ' 49' ' ' LYS . 2.3 mppt? -117.18 -35.64 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.514 . . . . 0.0 109.719 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 110.29 -38.93 3.08 Favored Glycine 0 N--CA 1.438 -1.209 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.7 m -111.15 161.43 9.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -124.48 161.63 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.744 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.491 HD22 HD23 ' B' ' 44' ' ' LEU . 4.2 mp -88.98 164.37 15.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.513 0.673 . . . . 0.0 112.703 -172.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -105.19 -178.5 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.434 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.51 98.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.724 0.693 . . . . 0.0 110.536 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.41 -43.94 96.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.701 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.426 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -67.14 -31.8 78.6 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.703 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.553 ' HA ' HD23 ' B' ' 44' ' ' LEU . 3.3 m-85 -70.43 -32.01 69.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.14 . . . . 0.0 111.211 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -69.96 -30.6 68.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.3 0.572 . . . . 0.0 109.988 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.4 mp -86.58 -24.34 25.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.479 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -79.02 -41.9 27.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.623 -176.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.87 -22.63 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.311 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.44 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 51.5 t80 -74.66 -40.41 61.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.702 HG21 HG22 ' C' ' 47' ' ' ILE . 25.0 pt -78.21 -34.35 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.001 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.413 ' C ' ' HB2' ' B' ' 53' ' ' LYS . 47.7 mm-40 -50.38 -63.73 1.03 Allowed 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.351 0.596 . . . . 0.0 109.423 170.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.558 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 0.5 OUTLIER -76.98 -2.03 31.75 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.138 -162.379 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.662 ' O ' HD23 ' B' ' 51' ' ' LEU . 28.8 m80 -115.47 -4.86 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 117.432 -1.707 . . . . 0.0 113.451 169.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.662 HD23 ' O ' ' B' ' 50' ' ' HIS . 13.7 mt -128.35 -47.61 1.31 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.343 0.519 . . . . 0.0 112.034 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.76 -21.67 12.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.558 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.8 mtmt . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.447 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 121.25 0.548 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.5 131.58 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.959 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.99 150.49 42.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.044 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -63.19 -15.77 58.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.624 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.52 -7.36 59.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.657 -174.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.06 -10.67 17.87 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.272 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.44 ' CD2' HD22 ' C' ' 43' ' ' LEU . 6.2 mp -119.18 -23.11 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.08 130.51 44.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.67 140.15 49.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.643 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.06 132.82 51.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.162 0.506 . . . . 0.0 110.495 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.629 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.24 168.28 4.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.284 -0.871 . . . . 0.0 113.245 -169.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.629 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 72.7 Cg_exo -47.3 -37.29 24.32 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.097 2.532 . . . . 0.0 113.701 175.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -147.53 -29.94 0.33 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -166.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.722 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 6.2 p -114.06 41.96 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -166.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.643 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.02 27.89 1.51 Allowed 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.503 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.421 ' H ' ' H ' ' C' ' 18' ' ' ALA . 17.1 ptp180 -148.08 -22.77 0.35 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -165.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -137.83 -30.37 0.82 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.582 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.04 26.75 39.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.442 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.722 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.0 OUTLIER -143.46 163.45 33.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.659 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.4 mm -125.43 101.98 9.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 63.21 50.95 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.788 0.68 . . . . 0.0 110.553 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.71 6.28 22.49 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.935 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.4 m -122.93 143.24 40.03 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 114.529 -0.836 . . . . 0.0 111.521 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.47 126.09 20.63 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.427 2.751 . . . . 0.0 112.288 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 51.3 t -80.1 138.64 52.85 Favored Pre-proline 0 N--CA 1.448 -0.53 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.516 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 55.4 Cg_exo -34.09 -59.37 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 1 C-N-CA 125.892 4.394 . . . . 0.0 115.961 -177.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.78 -7.06 7.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.574 -165.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.549 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 21.3 p -128.92 92.05 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.58 53.75 0.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.75 43.52 4.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.379 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -118.75 -35.66 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 109.859 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 110.9 -38.6 3.23 Favored Glycine 0 N--CA 1.438 -1.206 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' C' ' 11' ' ' ALA . 30.8 m -112.22 162.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.512 HG23 ' SG ' ' C' ' 12' ' ' CYS . 13.2 pt -124.67 162.14 27.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.91 174.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.468 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -89.27 164.11 15.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.439 0.638 . . . . 0.0 112.503 -173.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.0 p -105.14 -178.82 3.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.413 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.77 96.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.733 0.697 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.09 -45.02 94.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.95 -31.78 80.59 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.668 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.565 ' HA ' HD23 ' C' ' 44' ' ' LEU . 3.2 m-85 -70.57 -32.31 69.66 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.079 0.151 . . . . 0.0 111.173 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -70.01 -30.49 67.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.224 0.535 . . . . 0.0 110.116 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.594 ' O ' HG23 ' C' ' 47' ' ' ILE . 7.4 mp -86.32 -24.69 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.45 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -78.51 -42.16 30.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.129 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -71.61 -23.11 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.426 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 50.3 t80 -74.45 -40.79 61.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.632 174.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.723 HG21 HG22 ' A' ' 47' ' ' ILE . 24.4 pt -77.82 -33.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.988 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -51.18 -63.48 1.12 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.556 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 0.7 OUTLIER -77.14 -2.18 33.01 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.878 -1.056 . . . . 0.0 112.96 -162.3 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.695 ' O ' HD23 ' C' ' 51' ' ' LEU . 29.7 m80 -115.43 -4.86 12.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 117.391 -1.724 . . . . 0.0 113.464 169.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.695 HD23 ' O ' ' C' ' 50' ' ' HIS . 13.3 mt -128.7 -47.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.269 0.486 . . . . 0.0 112.183 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -21.89 12.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.556 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.6 mtmt . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.502 176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.482 0.658 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -112.67 136.94 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.17 146.59 49.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.543 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.36 -16.36 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.525 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.2 -4.17 56.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.75 -16.08 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.778 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.33 -16.08 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 110.728 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.568 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 44.9 mt-10 -138.36 135.4 35.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.321 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 144.23 37.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.622 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.84 130.47 44.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.107 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.871 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 40.5 t -60.0 155.28 44.67 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.876 -168.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.871 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 57.4 Cg_exo -42.12 -25.5 0.41 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.168 3.245 . . . . 0.0 115.505 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' HG23 ' A' ' 21' ' ' ILE . 59.0 tttp -153.97 -34.71 0.1 Allowed 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -168.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -117.62 45.27 1.97 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -166.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.622 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.45 29.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.917 0.865 . . . . 0.0 108.798 -175.773 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -148.85 -29.6 0.27 Allowed 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -162.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.57 -38.79 2.49 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.607 -172.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.42 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.28 17.19 37.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 119.972 -1.109 . . . . 0.0 112.877 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.84 166.43 32.72 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 24' ' ' THR . 36.2 mt -141.44 126.37 17.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 54.28 42.32 31.54 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.708 0.63 . . . . 0.0 110.741 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -2.56 21.25 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.845 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.633 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 1.1 t -120.32 160.3 44.18 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 117.678 0.739 . . . . 0.0 111.699 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 14.4 Cg_endo -54.11 136.88 69.04 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.871 2.381 . . . . 0.0 112.035 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.527 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 12.0 t -87.55 140.14 31.74 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.6 -170.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -26.5 -52.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 1 C-N-CA 126.068 4.512 . . . . 0.0 116.34 -177.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.31 -1.27 4.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -168.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.527 ' HG ' ' HG ' ' A' ' 26' ' ' CYS . 25.3 p -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.053 0.454 . . . . 0.0 110.251 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -85.78 58.43 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 89.69 48.68 3.6 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.185 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 14.2 mtpp -122.61 -40.37 2.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -172.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.27 -40.39 2.55 Favored Glycine 0 N--CA 1.434 -1.491 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.0 167.75 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 0.0 112.136 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.58 163.85 35.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.922 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD22 HD23 ' A' ' 44' ' ' LEU . 4.9 mp -88.04 163.9 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -172.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 59.7 p -106.21 174.96 5.66 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.431 -1.259 . . . . 0.0 108.172 172.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.04 82.02 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.884 0.765 . . . . 0.0 111.093 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -52.25 -52.49 52.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.86 -30.81 78.97 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 113.34 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.8 m-85 -69.29 -33.31 73.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.078 0.439 . . . . 0.0 111.146 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -69.43 -30.68 68.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.722 0.772 . . . . 0.0 109.915 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.23 -12.74 45.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.509 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -84.97 -44.04 13.46 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.026 -0.669 . . . . 0.0 110.067 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.23 -23.31 61.98 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.177 0.513 . . . . 0.0 110.099 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.6 -43.22 60.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.055 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.682 HG21 HG22 ' B' ' 47' ' ' ILE . 21.4 pt -79.36 -28.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.918 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.537 ' HA ' HD11 ' B' ' 51' ' ' LEU . 20.3 mm-40 -58.12 -52.36 65.87 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.671 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 19.7 ttpt -79.32 -3.41 45.99 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.968 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.432 ' HB2' HD11 ' C' ' 47' ' ' ILE . 26.3 m80 -117.57 -0.76 11.8 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 116.938 -1.905 . . . . 0.0 113.823 168.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.7 mm? -116.15 -29.51 6.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.148 0.499 . . . . 0.0 111.17 173.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -136.74 -30.68 0.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.312 -164.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.671 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 16.3 mtmt . . . . . 0 C--O 1.247 0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.423 0.63 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -115.91 136.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 146.38 49.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.302 171.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -61.58 -16.06 44.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.613 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.13 -4.64 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.426 -175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -103.11 -15.66 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.031 0.443 . . . . 0.0 110.741 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.1 -15.88 12.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.097 0.475 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.534 ' OE1' ' HE3' ' C' ' 49' ' ' LYS . 45.0 mt-10 -138.35 137.83 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.274 175.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.77 145.25 35.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.604 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.47 131.19 46.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.268 0.556 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.899 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 14.3 t -58.61 155.86 26.97 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.064 -169.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.899 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 57.6 Cg_exo -42.56 -26.49 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.278 3.319 . . . . 0.0 115.014 177.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HD3' HG23 ' B' ' 21' ' ' ILE . 55.8 tttp -153.75 -33.56 0.11 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -169.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.81 46.46 1.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -167.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.604 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.3 28.92 1.33 Allowed 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -176.303 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -148.92 -29.26 0.27 Allowed 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -163.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.84 2.75 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.563 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.99 18.81 38.62 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.406 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -158.19 166.12 33.21 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.609 ' O ' HG22 ' B' ' 24' ' ' THR . 30.9 mt -142.18 126.45 16.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 54.45 42.05 31.6 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 123.896 0.747 . . . . 0.0 110.619 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.84 -1.84 28.55 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.954 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.609 HG22 ' O ' ' B' ' 21' ' ' ILE . 2.8 t -121.08 158.16 53.42 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 117.374 0.587 . . . . 0.0 111.556 -172.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.599 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 13.5 Cg_endo -53.95 133.59 55.57 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.844 2.363 . . . . 0.0 111.681 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.419 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 32.3 t -85.22 141.84 37.6 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.54 -170.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.419 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 62.5 Cg_exo -26.69 -51.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 126.206 4.604 . . . . 0.0 116.683 -177.484 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -1.62 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -169.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 19.9 p -136.7 100.64 4.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -82.08 58.28 3.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.211 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 89.67 47.86 3.85 Favored Glycine 0 CA--C 1.505 -0.534 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.172 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 14.6 mtpp -121.54 -40.75 2.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -171.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.83 -39.88 2.71 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.49 168.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.207 0.527 . . . . 0.0 112.098 -176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 pt -130.81 163.94 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.801 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.434 HD22 HD23 ' B' ' 44' ' ' LEU . 4.8 mp -87.94 163.96 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -172.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.432 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 44.8 p -106.18 174.9 5.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.178 172.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.98 76.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.826 0.739 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -51.89 -52.98 45.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.536 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.24 -30.96 79.29 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.235 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.602 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.1 m-85 -69.4 -33.2 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.128 0.464 . . . . 0.0 111.188 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -69.18 -31.04 69.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.763 0.792 . . . . 0.0 109.983 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.13 -12.79 46.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.528 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -84.91 -44.16 13.42 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.041 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.26 -23.1 61.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.07 0.462 . . . . 0.0 110.117 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.79 -43.59 58.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.073 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.682 HG22 HG21 ' A' ' 47' ' ' ILE . 21.3 pt -79.26 -28.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.844 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.537 ' HA ' HD11 ' C' ' 51' ' ' LEU . 21.2 mm-40 -58.16 -52.0 67.38 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.691 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 21.0 ttpt -79.63 -3.33 46.66 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.971 -167.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' A' ' 47' ' ' ILE . 26.2 m80 -117.5 -0.75 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 116.928 -1.909 . . . . 0.0 113.847 168.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.8 mm? -116.11 -29.43 6.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.287 0.565 . . . . 0.0 111.032 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -136.44 -31.15 0.89 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.07 -164.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.691 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 16.1 mtmt . . . . . 0 C--O 1.249 1.066 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 121.299 0.571 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -113.31 137.74 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.8 146.65 50.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.655 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.14 -16.39 43.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.582 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.89 -4.7 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.536 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -102.76 -16.43 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.0 110.644 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.401 ' HA ' ' OG1' ' C' ' 37' ' ' THR . 7.3 mp -114.05 -16.05 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 45.2 mt-10 -137.68 138.02 38.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.066 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.8 p -128.85 145.11 36.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.645 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.24 130.7 44.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.85 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.895 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 16.5 t -58.94 154.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.093 -169.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.895 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 49.3 Cg_exo -41.41 -26.58 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.415 3.41 . . . . 0.0 115.32 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' LYS . . . . . 0.414 ' HD3' HG23 ' C' ' 21' ' ' ILE . 57.4 tttp -153.25 -34.32 0.11 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -168.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.492 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 17.0 p -117.9 45.27 2.0 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -165.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.645 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.99 29.03 1.43 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -175.477 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -148.74 -27.24 0.3 Allowed 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -163.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.77 -35.36 2.31 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.898 -1.047 . . . . 0.0 112.897 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.453 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 92.69 17.28 45.54 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.569 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.87 164.64 37.84 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.599 ' O ' HG22 ' C' ' 24' ' ' THR . 33.5 mt -141.53 126.03 17.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 54.46 43.63 30.05 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.895 0.747 . . . . 0.0 111.064 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.73 -0.1 22.33 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.938 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 2.9 t -122.74 158.99 55.28 Favored Pre-proline 0 C--O 1.239 0.535 0 CA-C-N 117.507 0.654 . . . . 0.0 111.511 -173.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 12.9 Cg_endo -53.11 136.44 61.49 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.975 2.45 . . . . 0.0 111.622 174.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 t -88.66 141.24 29.98 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.287 -170.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -25.48 -51.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.064 1 C-N-CA 126.271 4.647 . . . . 0.0 116.615 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.39 -1.23 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' C' ' 32' ' ' LYS . 20.0 p -137.02 100.68 4.35 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.532 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -80.47 57.94 3.01 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.142 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.41 48.93 3.84 Favored Glycine 0 CA--C 1.504 -0.645 0 C-N-CA 120.166 -1.016 . . . . 0.0 111.156 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 15.0 mtpp -121.21 -41.35 2.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -172.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.52 -40.12 2.61 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.42 167.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.224 0.535 . . . . 0.0 112.152 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 pt -130.14 164.14 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.787 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.428 HD22 HD23 ' C' ' 44' ' ' LEU . 4.8 mp -88.2 163.81 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' THR . . . . . 0.443 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 68.3 p -106.0 175.58 5.45 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.41 -1.268 . . . . 0.0 108.25 172.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.19 84.01 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.018 0.826 . . . . 0.0 111.054 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -51.91 -52.85 47.09 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.481 172.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.49 -31.12 79.82 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.307 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.579 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.1 m-85 -69.35 -33.04 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.109 0.455 . . . . 0.0 111.165 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -69.71 -30.72 68.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.633 0.73 . . . . 0.0 110.068 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.404 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.2 mp -87.06 -13.21 44.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.576 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -84.22 -44.4 13.95 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.976 -179.518 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.21 -23.03 61.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.108 0.48 . . . . 0.0 110.118 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -73.81 -43.46 58.73 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.144 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.661 HG21 HG22 ' A' ' 47' ' ' ILE . 21.4 pt -79.36 -28.91 13.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.528 ' HA ' HD11 ' A' ' 51' ' ' LEU . 21.0 mm-40 -57.81 -52.12 66.76 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 168.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.69 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 19.6 ttpt -79.28 -4.02 48.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.082 -167.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' B' ' 47' ' ' ILE . 26.8 m80 -117.32 -0.36 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 116.932 -1.907 . . . . 0.0 113.778 169.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.7 mm? -116.88 -27.63 6.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.249 0.547 . . . . 0.0 111.249 173.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -139.54 -29.07 0.75 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.394 -163.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.69 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 15.7 mtmt . . . . . 0 C--O 1.248 0.995 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -134.99 135.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.222 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.15 150.94 41.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.002 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 m -67.9 -14.13 62.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.045 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.03 -6.55 58.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -103.79 -12.67 16.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.76 -18.19 11.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.557 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' OE2' ' HE1' ' B' ' 50' ' ' HIS . 23.3 mt-10 -137.1 136.77 38.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.182 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.41 145.21 36.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.747 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.62 131.4 47.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.135 0.493 . . . . 0.0 110.896 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.74 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.25 171.07 1.77 Allowed Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 124.165 0.986 . . . . 0.0 113.33 -171.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.74 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 59.2 Cg_exo -47.96 -41.6 32.61 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.286 2.657 . . . . 0.0 114.442 173.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -146.34 -25.83 0.43 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -165.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 25.7 p -115.27 40.98 2.55 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -168.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.747 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -90.66 35.68 0.89 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.626 -178.667 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 18' ' ' ALA . 4.0 ptp85 -149.37 -23.92 0.29 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.426 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -131.25 -28.92 1.86 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.47 49.78 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.266 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 3.4 pt-20 -148.64 155.72 41.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.509 . . . . 0.0 111.062 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.54 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.6 mm -123.57 103.46 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.87 48.58 3.12 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.042 0.839 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.52 9.83 20.05 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.732 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -122.74 145.81 46.3 Favored Pre-proline 0 C--N 1.305 -1.344 0 CA-C-N 114.376 -0.912 . . . . 0.0 110.681 -170.767 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.54 135.17 68.84 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 0.0 111.979 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 45.6 t -90.84 137.35 26.87 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 66.9 Cg_exo -31.45 -60.11 0.17 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 126.16 4.573 . . . . 0.0 116.47 -177.168 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.19 -6.6 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.422 0.63 . . . . 0.0 111.377 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 30.0 p -130.6 88.67 2.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.742 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -75.76 55.34 0.86 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.238 0.542 . . . . 0.0 111.457 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.88 46.05 2.53 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.276 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -117.52 -43.86 2.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.466 0.65 . . . . 0.0 109.518 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.63 -38.14 3.2 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -174.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -112.67 163.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.89 0.376 . . . . 0.0 111.802 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.449 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.6 pt -124.12 159.98 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.645 175.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.35 161.99 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.814 0.816 . . . . 0.0 112.999 -171.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -106.03 174.89 5.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.319 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.96 80.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.507 0.594 . . . . 0.0 111.405 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.53 -42.48 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.781 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.74 -30.22 70.71 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.584 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.9 m-85 -69.51 -32.93 72.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.402 0.144 . . . . 0.0 111.163 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.34 0.59 . . . . 0.0 110.448 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 mp -87.58 -16.9 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -82.73 -45.83 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.963 -177.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.47 -21.58 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.047 0.451 . . . . 0.0 110.551 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.38 -40.35 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.653 HG22 HG21 ' C' ' 47' ' ' ILE . 29.9 pt -77.55 -31.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.113 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.0 mm-40 -52.59 -58.16 7.68 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.89 0.78 22.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.256 -164.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.669 ' O ' HD23 ' A' ' 51' ' ' LEU . 12.2 m-70 -114.61 -10.96 12.44 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 117.618 -1.633 . . . . 0.0 114.253 168.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 50' ' ' HIS . 19.0 mt -127.68 -42.22 1.63 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.108 0.867 . . . . 0.0 111.895 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -106.06 -25.31 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.417 . . . . 0.0 111.927 -173.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.624 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.9 mtmm . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.236 -0.887 . . . . 0.0 109.015 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 121.662 0.744 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.445 HG22 ' HG3' ' C' ' 39' ' ' GLN . 16.2 tt -136.43 135.48 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.231 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.88 149.8 42.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.788 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.5 m -66.53 -14.26 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.758 -176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.15 -6.04 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.373 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -103.61 -12.95 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.99 -17.99 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.483 ' OE2' ' HE1' ' C' ' 50' ' ' HIS . 22.8 mt-10 -137.33 136.32 37.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.158 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.53 145.43 35.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.805 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.05 131.41 47.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.061 0.457 . . . . 0.0 111.221 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.815 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.6 OUTLIER -61.6 168.02 3.75 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.118 0.967 . . . . 0.0 113.141 -172.234 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.815 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 54.3 Cg_exo -46.59 -39.8 23.22 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.5 2.133 . . . . 0.0 114.146 171.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -146.01 -24.52 0.45 Allowed 'General case' 0 C--N 1.347 0.486 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.589 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -116.59 41.38 2.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -168.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.805 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.4 OUTLIER -90.33 34.48 0.87 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.411 0.624 . . . . 0.0 110.685 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -150.25 -25.95 0.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.98 -39.67 2.08 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.84 23.64 25.06 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 119.556 -1.307 . . . . 0.0 113.69 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.589 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.0 pt-20 -152.95 159.16 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.129 0.465 . . . . 0.0 110.888 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.3 mm -124.29 102.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 64.06 49.69 2.66 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 124.163 0.914 . . . . 0.0 111.436 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.74 10.11 23.06 Favored Glycine 0 N--CA 1.467 0.727 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.828 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -124.39 143.73 43.85 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 114.46 -0.87 . . . . 0.0 110.44 -169.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -55.8 134.08 61.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.825 2.35 . . . . 0.0 112.436 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.2 t -89.29 134.6 32.62 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -29.69 -57.99 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 1 C-N-CA 126.617 4.878 . . . . 0.0 116.765 -176.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.16 -8.63 9.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.748 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 21.8 p -130.88 93.49 3.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 58.52 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 46.57 2.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.609 -0.723 . . . . 0.0 113.318 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 44.5 mtmt -119.24 -44.76 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.627 0.727 . . . . 0.0 109.257 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.554 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 117.31 -38.57 2.93 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.85 163.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.935 0.397 . . . . 0.0 111.864 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 pt -124.04 159.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.412 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.516 HD22 HD23 ' B' ' 44' ' ' LEU . 4.3 mp -87.25 161.98 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -105.86 173.45 6.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.539 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.38 70.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 118.33 0.514 . . . . 0.0 111.638 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.11 -44.2 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.655 0.264 . . . . 0.0 110.731 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.4 -28.43 71.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.532 ' HA ' HD23 ' B' ' 44' ' ' LEU . 11.4 m-85 -69.37 -32.24 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.576 0.227 . . . . 0.0 110.966 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -71.14 -31.27 67.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.499 0.666 . . . . 0.0 109.965 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 47' ' ' ILE . 6.2 mp -87.21 -20.01 27.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.433 -176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -80.83 -45.46 16.86 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.596 -0.69 . . . . 0.0 110.304 -177.475 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.61 -21.39 60.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.421 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -74.09 -40.47 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.673 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.652 HG22 HG21 ' A' ' 47' ' ' ILE . 28.0 pt -77.62 -31.31 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.985 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -52.19 -58.6 6.13 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.639 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 25.7 ttmt -77.55 0.86 21.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.312 -164.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.667 ' O ' HD23 ' B' ' 51' ' ' LEU . 11.5 m-70 -114.56 -9.45 12.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.073 168.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.667 HD23 ' O ' ' B' ' 50' ' ' HIS . 23.7 mt -129.21 -42.81 1.34 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.024 0.829 . . . . 0.0 111.877 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -106.34 -23.41 12.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 0.0 111.899 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.639 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.456 -0.783 . . . . 0.0 109.187 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.804 0.811 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.0 tt -136.86 134.82 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.29 149.24 43.99 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.778 174.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -65.22 -14.53 60.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.236 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.6 -6.31 58.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.31 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -104.08 -11.7 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.38 -17.84 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.786 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLU . . . . . 0.438 ' OE2' ' HE1' ' A' ' 50' ' ' HIS . 23.2 mt-10 -137.57 135.37 36.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.047 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.57 144.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.758 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.2 131.44 47.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.418 0.627 . . . . 0.0 111.127 -176.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.712 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.51 171.44 1.73 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.507 -170.734 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.712 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 67.6 Cg_exo -49.0 -41.82 39.41 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.888 2.392 . . . . 0.0 114.259 173.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.98 -26.59 0.48 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -165.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 28.6 p -115.31 41.44 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 118.992 -1.083 . . . . 0.0 113.829 -168.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.758 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -89.53 35.3 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.423 ' H ' ' H ' ' C' ' 18' ' ' ALA . 3.6 ptp85 -149.25 -25.57 0.29 Allowed 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.423 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -127.96 -33.29 2.23 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 115.431 -0.804 . . . . 0.0 113.033 -169.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.75 25.59 37.91 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.405 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.2 pt-20 -150.97 156.05 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.153 0.502 . . . . 0.0 111.328 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.609 ' O ' ' HB ' ' C' ' 24' ' ' THR . 33.2 mm -123.12 102.2 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 175.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 64.45 50.22 2.28 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.312 1.007 . . . . 0.0 111.285 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 12.06 25.38 Favored Glycine 0 N--CA 1.465 0.618 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.72 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.609 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -125.54 144.43 47.97 Favored Pre-proline 0 C--N 1.303 -1.444 0 CA-C-N 114.34 -0.93 . . . . 0.0 110.553 -168.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -57.47 132.37 50.2 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.731 2.287 . . . . 0.0 112.463 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 53.3 t -89.26 135.64 31.08 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -170.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 60.1 Cg_exo -30.29 -58.55 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 126.511 4.808 . . . . 0.0 116.846 -176.621 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.33 -6.88 9.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.403 0.62 . . . . 0.0 111.271 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.8 p -130.87 89.86 2.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.775 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -76.96 56.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 111.213 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.15 46.1 2.68 Favored Glycine 0 N--CA 1.441 -0.969 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.052 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' C' ' 32' ' ' LYS . 42.8 mtmt -117.49 -43.93 2.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.5 0.667 . . . . 0.0 109.274 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 115.8 -38.18 3.17 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.93 164.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 111.728 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.451 HG23 ' SG ' ' C' ' 12' ' ' CYS . 8.7 pt -124.16 160.0 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.621 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -87.48 161.58 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.746 0.784 . . . . 0.0 113.082 -171.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -105.7 174.79 5.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.508 -1.224 . . . . 0.0 108.19 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.63 78.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.411 0.551 . . . . 0.0 111.455 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' GLN . . . . . 0.445 ' HG3' HG22 ' B' ' 3' ' ' ILE . 53.9 tt0 -59.44 -44.37 92.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.56 -27.97 71.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.845 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.518 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.9 m-85 -69.56 -32.03 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.541 0.21 . . . . 0.0 110.897 175.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.2 m -71.08 -32.12 68.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.453 0.644 . . . . 0.0 110.009 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.49 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.3 mp -87.19 -19.12 28.88 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.502 -175.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.553 HD23 HD22 ' C' ' 36' ' ' LEU . 0.9 OUTLIER -81.19 -45.14 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.377 -178.283 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.59 -22.35 60.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 0.0 110.489 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.84 -40.0 63.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.554 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.653 HG21 HG22 ' A' ' 47' ' ' ILE . 28.5 pt -77.67 -31.38 17.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.24 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -50.87 -58.95 4.7 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.571 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 28.3 ttmt -77.87 0.7 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.211 -163.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.646 ' O ' HD23 ' C' ' 51' ' ' LEU . 12.1 m-70 -114.75 -9.74 12.5 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 117.45 -1.7 . . . . 0.0 114.167 168.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.646 HD23 ' O ' ' C' ' 50' ' ' HIS . 22.3 mt -127.63 -43.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.004 0.82 . . . . 0.0 111.859 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.58 -24.65 12.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.573 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 8.2 mtmm . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.549 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 121.444 0.64 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.62 136.8 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.308 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.27 163.35 16.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 m -65.98 -13.82 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.333 0.587 . . . . 0.0 110.066 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.77 -5.59 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.51 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.7 -0.42 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.272 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -121.59 -26.54 4.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.653 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -146.77 152.08 38.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.397 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.87 144.56 36.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.187 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 34' ' ' VAL . . . -64.17 134.47 54.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.13 0.491 . . . . 0.0 110.623 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.648 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.2 m -56.32 165.86 1.39 Allowed Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -171.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -51.37 -32.55 42.56 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.975 2.45 . . . . 0.0 113.187 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -152.24 -29.7 0.16 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 p -115.66 41.78 2.44 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -167.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -91.81 28.03 1.91 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -177.669 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -148.68 -24.22 0.32 Allowed 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -164.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.32 -36.13 1.5 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.116 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.15 20.0 44.11 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.95 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.41 162.96 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' HB ' ' A' ' 24' ' ' THR . 26.8 mm -127.8 108.37 17.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 60.74 45.47 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.356 0.41 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.07 4.96 17.51 Favored Glycine 0 CA--C 1.509 -0.322 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.519 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.65 146.45 39.92 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.173 -170.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.49 133.8 58.37 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.126 2.55 . . . . 0.0 111.975 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 46.9 t -85.71 140.06 35.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.4 Cg_exo -31.39 -53.67 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 125.71 4.273 . . . . 0.0 116.115 -178.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -3.27 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -167.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 13.8 p -130.61 105.88 8.12 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 p -82.14 50.84 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.957 -0.464 . . . . 0.0 112.244 -177.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.88 39.9 5.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.15 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -110.93 -39.9 4.67 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.8 -38.85 2.86 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.57 163.67 12.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.648 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.0 pt -124.34 161.24 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.256 173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -87.08 156.53 19.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -173.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.12 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.02 169.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.51 -44.54 85.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.699 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.54 -30.23 73.04 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.79 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.592 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.9 m-85 -69.2 -32.34 71.55 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.828 -0.219 . . . . 0.0 110.854 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 m -70.44 -35.42 73.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.313 0.578 . . . . 0.0 110.856 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.45 -13.3 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.449 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.599 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -82.35 -42.63 18.46 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.744 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.24 -25.12 63.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.975 0.417 . . . . 0.0 110.673 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 63.6 t80 -74.87 -39.39 61.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.765 HG21 HG22 ' B' ' 47' ' ' ILE . 22.8 pt -79.61 -31.63 14.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.564 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 84.6 mm-40 -55.29 -58.14 8.92 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.831 168.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 27.7 ttpt -79.0 1.17 24.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.005 -165.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.504 ' NE2' HD21 ' C' ' 36' ' ' LEU . 62.0 m80 -117.42 -1.31 11.76 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.794 -1.562 . . . . 0.0 114.033 164.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' C' ' 52' ' ' ASN . 3.4 mm? -121.98 -42.89 2.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.744 0.702 . . . . 0.0 111.346 175.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.409 ' OD1' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -124.06 -19.79 5.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -166.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.568 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.453 0.644 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.407 HG22 ' HG3' ' C' ' 39' ' ' GLN . 16.8 tt -122.97 137.38 56.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.263 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.71 164.16 15.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.2 m -65.43 -13.51 58.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.511 . . . . 0.0 110.241 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.7 -6.08 59.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.738 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.9 0.46 38.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.188 0.518 . . . . 0.0 109.978 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.0 mt -123.43 -27.34 4.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -146.83 151.02 36.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.12 146.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.976 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.12 134.46 54.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.541 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -58.41 165.03 3.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.081 -0.963 . . . . 0.0 113.185 -171.493 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 91.0 Cg_exo -51.36 -30.81 35.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.843 2.362 . . . . 0.0 113.965 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -151.31 -31.0 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -165.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 24.2 p -116.28 43.14 2.24 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -169.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.534 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.18 27.42 1.89 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.032 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -147.97 -27.19 0.34 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -164.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.66 -35.3 2.14 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.105 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.78 50.56 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.968 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 6.2 pt-20 -149.9 158.86 44.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.4 mm -125.97 107.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 59.9 43.62 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.322 0.389 . . . . 0.0 111.119 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.07 2.82 20.22 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.427 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -118.28 144.43 35.0 Favored Pre-proline 0 C--N 1.309 -1.188 0 CA-C-N 115.191 -0.505 . . . . 0.0 111.044 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.21 127.97 28.0 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.596 2.864 . . . . 0.0 112.622 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.2 t -79.28 138.0 56.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -171.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -30.36 -54.1 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.049 1 C-N-CA 125.926 4.418 . . . . 0.0 116.06 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.56 -3.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -167.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 14.9 p -132.76 103.99 6.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -82.02 51.67 1.81 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.5 43.16 4.34 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.884 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -114.3 -40.34 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.26 -39.75 2.56 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -177.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' B' ' 11' ' ' ALA . 34.3 m -114.2 163.0 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 pt -124.54 161.04 28.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.179 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.548 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -87.38 156.49 19.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.188 0.811 . . . . 0.0 113.188 -172.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -107.15 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.122 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.05 -45.69 68.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.96 -45.72 86.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.969 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 -30.05 75.03 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.062 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.558 ' HA ' HD23 ' B' ' 44' ' ' LEU . 10.5 m-85 -69.51 -32.76 71.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.726 -0.279 . . . . 0.0 110.959 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.61 -35.2 75.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.331 0.586 . . . . 0.0 110.74 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.45 -14.07 44.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.691 -174.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.593 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -82.63 -41.88 18.89 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.054 -0.658 . . . . 0.0 109.822 179.181 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.26 -25.17 63.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.635 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 63.5 t80 -74.85 -39.75 61.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.248 176.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.765 HG22 HG21 ' A' ' 47' ' ' ILE . 23.2 pt -79.51 -31.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.465 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 83.4 mm-40 -55.42 -58.67 6.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 168.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 26.7 ttpt -78.41 1.01 23.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.001 -165.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.515 ' NE2' HD21 ' A' ' 36' ' ' LEU . 62.6 m80 -117.23 -1.36 11.84 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 117.965 -1.494 . . . . 0.0 114.049 164.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.417 HD21 HG13 ' A' ' 47' ' ' ILE . 3.4 mm? -122.17 -43.01 2.34 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.765 0.711 . . . . 0.0 111.304 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASN . . . . . 0.425 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -125.37 -17.88 5.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -166.803 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.553 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 10.3 mtmt . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.305 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -122.77 137.31 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.91 16.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.3 m -66.21 -13.21 59.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.188 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.55 -6.33 59.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -101.88 2.3 37.94 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.116 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.3 mt -123.96 -27.92 3.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.696 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLU . . . . . 0.462 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 23.1 mt-10 -146.71 151.72 37.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.37 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -132.31 145.48 34.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.62 133.05 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 110.764 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.64 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -57.03 165.06 1.97 Allowed Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.296 -0.865 . . . . 0.0 113.178 -170.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.64 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 82.3 Cg_exo -51.75 -28.33 29.86 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.066 2.51 . . . . 0.0 114.493 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -153.4 -31.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -166.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 27.7 p -117.01 43.89 2.19 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.931 -1.108 . . . . 0.0 113.852 -166.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.516 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 26.39 2.22 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.463 -0.79 . . . . 0.0 108.941 -177.668 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.6 ptp180 -147.72 -25.04 0.37 Allowed 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -164.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -128.95 -34.3 1.94 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.954 -175.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.59 19.44 51.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.89 159.62 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 111.014 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.509 ' O ' ' HB ' ' C' ' 24' ' ' THR . 28.2 mm -125.75 107.7 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 59.15 45.25 14.73 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.226 0.329 . . . . 0.0 111.161 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.63 5.66 18.87 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.466 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -118.71 145.77 38.41 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.247 -0.476 . . . . 0.0 111.007 -172.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -53.92 133.1 53.19 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.397 2.731 . . . . 0.0 112.221 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.6 t -85.58 137.46 36.31 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -170.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -30.11 -53.35 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.958 1 C-N-CA 126.02 4.48 . . . . 0.0 116.191 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.19 -1.59 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.477 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 15.3 p -133.2 103.73 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -80.37 51.39 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.65 4.84 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.213 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -113.09 -39.42 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 116.92 -39.31 2.71 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -114.16 163.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 112.198 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 11.5 pt -124.86 160.98 29.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.159 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.545 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -87.2 156.54 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -107.41 175.22 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.122 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.89 67.42 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' GLN . . . . . 0.407 ' HG3' HG22 ' B' ' 3' ' ' ILE . 17.8 tt0 -58.69 -43.99 90.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.766 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' GLY . . . . . 0.435 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.06 -30.65 74.09 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.998 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.548 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.4 m-85 -69.38 -32.85 72.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.703 -0.292 . . . . 0.0 110.977 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.82 -35.18 74.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.333 0.587 . . . . 0.0 110.789 173.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.49 -14.33 43.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.78 -174.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.11 -42.11 19.59 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.689 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.07 -25.25 63.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.0 0.428 . . . . 0.0 110.78 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 63.3 t80 -75.02 -40.04 60.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.331 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.722 HG21 HG22 ' A' ' 47' ' ' ILE . 22.7 pt -79.4 -31.35 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.497 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 83.9 mm-40 -55.28 -58.7 6.62 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.713 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.568 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.7 ttpt -78.85 0.92 25.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.373 -0.83 . . . . 0.0 113.002 -165.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.486 ' NE2' HD21 ' B' ' 36' ' ' LEU . 61.6 m80 -116.75 -1.61 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.901 -1.52 . . . . 0.0 113.947 164.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.436 HD21 HG13 ' B' ' 47' ' ' ILE . 3.4 mm? -121.69 -45.32 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.992 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ASN . . . . . 0.421 ' OD1' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.38 -17.28 6.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -166.243 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.338 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.96 137.2 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.632 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 147.72 49.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.532 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.58 -18.88 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.527 -175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.07 -2.34 55.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.218 -174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -101.38 -21.25 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 46' ' ' PHE . 7.9 mp -108.42 -10.41 15.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 0.0 110.609 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.412 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 42.4 mt-10 -141.03 142.99 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.521 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.57 142.62 43.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.802 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.12 131.55 47.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.181 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.867 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 49.3 t -62.7 153.88 76.77 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.267 -169.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.867 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 Cg_exo -38.37 -36.46 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.585 2.856 . . . . 0.0 114.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.522 ' HD3' HG23 ' A' ' 21' ' ' ILE . 63.1 tttp -143.64 -30.59 0.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -166.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 20.2 p -117.05 47.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -169.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.86 27.61 1.76 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -177.468 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -148.53 -26.82 0.32 Allowed 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -39.9 2.41 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.937 -169.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.523 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 94.49 14.28 51.06 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.966 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.6 pt-20 -153.01 164.54 37.8 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.522 HG23 ' HD3' ' A' ' 14' ' ' LYS . 16.9 mt -132.98 121.67 44.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 172.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.85 42.13 31.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 123.972 0.795 . . . . 0.0 110.757 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.2 -2.68 50.76 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.752 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.6 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -119.17 160.91 39.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 O-C-N 122.693 -0.298 . . . . 0.0 111.559 -173.679 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.6 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -57.09 137.59 82.55 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.018 2.479 . . . . 0.0 111.814 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 40.7 t -91.09 140.98 26.03 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -171.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 46.9 Cg_exo -27.42 -52.55 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.041 1 C-N-CA 126.274 4.649 . . . . 0.0 116.717 -178.335 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 -5.21 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -167.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -132.94 99.43 4.58 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.3 m -77.92 55.85 1.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.05 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.523 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 88.75 47.12 4.34 Favored Glycine 0 CA--C 1.504 -0.641 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.507 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -119.05 -37.38 3.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -172.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.42 -39.56 2.82 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.7 m -125.77 169.27 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.068 0.461 . . . . 0.0 111.989 -176.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 pt -129.25 161.07 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.843 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 44' ' ' LEU . 4.6 mp -87.6 164.41 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -106.19 177.75 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.362 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.98 77.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.454 0.57 . . . . 0.0 111.7 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.88 -41.01 95.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.69 0.281 . . . . 0.0 110.812 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.18 73.78 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.575 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.585 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.3 m-85 -69.75 -33.02 71.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.779 -0.211 . . . . 0.0 110.919 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.06 -32.38 70.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.301 0.572 . . . . 0.0 110.537 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.41 -14.1 44.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.723 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -83.59 -40.2 19.37 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.836 179.008 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.38 -23.13 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.437 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' C' ' 9' ' ' GLU . 1.6 t80 -73.83 -44.26 56.19 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.403 0.621 . . . . 0.0 110.015 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.703 HG21 HG22 ' B' ' 47' ' ' ILE . 19.1 pt -79.84 -28.31 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.48 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.1 mm-40 -54.89 -58.69 6.57 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.443 0.64 . . . . 0.0 109.525 166.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.656 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 9.1 ttpt -78.96 -3.0 42.78 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.181 -165.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.437 ' HB2' HD11 ' C' ' 47' ' ' ILE . 28.5 m80 -117.74 -0.63 11.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 116.719 -1.992 . . . . 0.0 113.979 168.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.474 HD21 ' HB ' ' C' ' 47' ' ' ILE . 3.6 mm? -119.01 -33.34 4.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.389 0.541 . . . . 0.0 111.31 172.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.71 -30.77 2.75 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -167.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.656 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 8.6 mtmm . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.635 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.507 0.67 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 tt -130.07 137.26 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.18 147.72 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.534 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -61.82 -19.42 62.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.358 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -83.25 -1.66 53.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.299 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 -20.42 14.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -109.06 -10.22 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 110.627 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.439 ' HG3' ' CE1' ' C' ' 46' ' ' PHE . 42.5 mt-10 -141.04 143.17 34.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.599 174.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.86 142.75 42.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.027 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.468 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.48 133.4 51.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 1.001 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 50.9 t -71.14 154.67 93.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.701 -166.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 1.001 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.7 Cg_exo -36.24 -42.9 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 124.217 3.278 . . . . 0.0 114.797 -177.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.561 ' HD3' HG23 ' B' ' 21' ' ' ILE . 58.9 tttp -140.26 -26.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.693 -168.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' B' ' 26' ' ' CYS . 14.7 p -116.09 109.9 18.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.919 0.866 . . . . 0.0 111.561 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -152.84 15.45 0.56 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -177.124 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -148.49 -30.17 0.28 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.272 -159.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.91 -39.72 2.81 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.977 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.66 39.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.238 -0.982 . . . . 0.0 111.852 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 2.2 pt-20 -154.27 170.83 20.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.561 HG23 ' HD3' ' B' ' 14' ' ' LYS . 13.6 mt -138.41 122.52 21.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 171.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.55 43.44 30.27 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.075 0.859 . . . . 0.0 110.372 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.42 0.72 39.87 Favored Glycine 0 CA--C 1.522 0.515 0 CA-C-N 116.181 -0.463 . . . . 0.0 113.973 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.552 ' OG1' ' HD2' ' B' ' 25' ' ' PRO . 0.5 OUTLIER -120.0 159.97 44.83 Favored Pre-proline 0 C--N 1.319 -0.755 0 O-C-N 122.578 -0.366 . . . . 0.0 111.648 -172.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.552 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 19.2 Cg_endo -58.16 135.33 67.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.012 2.475 . . . . 0.0 111.54 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 53.0 t -91.58 140.76 25.33 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.505 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.552 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.4 Cg_exo -27.36 -53.51 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 126.34 4.693 . . . . 0.0 116.385 -177.812 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.93 -4.38 4.55 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -167.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 32.0 p -135.48 105.4 6.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -81.41 55.98 2.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.111 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 53.91 2.55 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.205 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -125.75 -42.69 1.9 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 116.97 -37.61 3.29 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.193 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.5 m -127.04 170.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.346 -0.502 . . . . 0.0 111.612 -175.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 pt -130.19 160.06 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.904 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.456 HD22 HD23 ' B' ' 44' ' ' LEU . 4.7 mp -86.94 164.51 16.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -170.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 52.7 p -106.0 176.63 5.1 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.345 173.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.23 74.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.327 0.512 . . . . 0.0 111.763 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.36 -41.42 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.42 75.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.671 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.589 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.4 m-85 -70.16 -32.68 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.456 0.169 . . . . 0.0 110.936 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.08 -32.66 70.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.437 0.637 . . . . 0.0 110.683 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.15 -14.39 44.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.712 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -83.03 -40.15 20.3 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.022 178.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.4 -23.39 62.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.331 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HG3' ' A' ' 9' ' ' GLU . 1.5 t80 -73.67 -44.77 55.86 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.426 0.631 . . . . 0.0 110.044 174.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.718 HG21 HG22 ' C' ' 47' ' ' ILE . 18.2 pt -79.51 -27.68 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.489 -173.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.0 mm-40 -55.45 -58.27 8.46 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 121.492 0.663 . . . . 0.0 109.491 166.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.637 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 9.6 ttpt -79.36 -3.53 46.7 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.169 -165.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 47' ' ' ILE . 27.1 m80 -117.33 -0.79 11.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 116.656 -2.017 . . . . 0.0 113.906 169.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.6 mm? -119.15 -32.88 4.3 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.295 0.569 . . . . 0.0 111.424 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -127.07 -30.28 2.71 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.981 -166.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.637 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 6.9 mtmm . . . . . 0 C--O 1.247 0.938 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.786 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.58 0.705 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -128.36 136.96 58.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.624 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.13 149.0 48.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.486 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -63.0 -18.85 63.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.286 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -83.23 -1.13 52.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -101.35 -20.61 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.227 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 7.9 mp -109.21 -11.62 14.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLU . . . . . 0.435 ' HG3' ' CE1' ' A' ' 46' ' ' PHE . 43.3 mt-10 -139.71 143.47 37.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.658 174.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.79 142.5 43.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.183 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.592 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.94 131.53 47.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.044 0.45 . . . . 0.0 109.959 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.909 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 42.3 t -64.93 153.24 89.04 Favored Pre-proline 0 N--CA 1.448 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.361 -168.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.909 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -36.38 -37.85 0.29 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.933 3.089 . . . . 0.0 114.765 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' LYS . . . . . 0.488 ' HD3' HG23 ' C' ' 21' ' ' ILE . 53.7 tttp -143.18 -29.73 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 25.5 p -116.61 44.8 1.94 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -166.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.592 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.13 26.8 2.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.111 0.482 . . . . 0.0 109.988 -175.406 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.434 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.8 ptp180 -148.3 -22.97 0.34 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -164.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -126.61 -39.85 1.97 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.143 -170.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.529 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 94.7 14.26 50.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.073 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -154.76 164.17 39.19 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.488 HG23 ' HD3' ' C' ' 14' ' ' LYS . 9.3 mt -133.47 119.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 57.19 42.05 26.07 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.111 0.882 . . . . 0.0 110.395 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.72 1.69 54.62 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.209 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.593 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.6 OUTLIER -120.74 160.67 43.52 Favored Pre-proline 0 C--N 1.318 -0.777 0 O-C-N 122.702 -0.293 . . . . 0.0 111.659 -174.707 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 25' ' ' PRO . . . . . 0.593 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 18.1 Cg_endo -57.03 137.58 82.57 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.896 2.397 . . . . 0.0 111.463 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.4 t -93.45 140.41 23.17 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.671 -170.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.551 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 61.0 Cg_exo -27.84 -52.01 0.12 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.394 4.729 . . . . 0.0 116.721 -177.55 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.83 -6.16 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -168.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 15.5 p -130.96 99.52 4.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -78.16 55.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.529 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.42 48.48 3.99 Favored Glycine 0 CA--C 1.504 -0.634 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.189 175.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -119.83 -37.85 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.85 -39.29 2.91 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.9 m -126.8 169.25 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.447 -0.443 . . . . 0.0 111.871 -176.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -128.57 161.49 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.831 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -87.7 164.89 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -170.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 45.2 p -105.87 177.93 4.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.355 173.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.36 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.447 0.567 . . . . 0.0 111.839 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.59 -39.81 92.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.44 76.73 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.643 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.629 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.2 m-85 -70.07 -31.16 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.417 0.287 . . . . 0.0 111.083 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 15.3 m -71.8 -32.49 67.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.23 0.538 . . . . 0.0 110.526 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.95 -14.86 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.087 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -81.77 -40.91 21.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.871 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.0 -23.64 63.17 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.363 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 9' ' ' GLU . 1.5 t80 -73.66 -44.52 56.53 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.439 0.637 . . . . 0.0 109.942 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.718 HG22 HG21 ' B' ' 47' ' ' ILE . 18.4 pt -79.62 -28.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.476 -173.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -54.87 -58.74 6.38 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.508 0.67 . . . . 0.0 109.524 166.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.645 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 9.1 ttpt -79.09 -3.35 44.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.412 -164.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.401 ' HB2' HD11 ' B' ' 47' ' ' ILE . 26.5 m80 -117.62 -0.62 11.81 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 116.892 -1.923 . . . . 0.0 113.834 169.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.6 mm? -118.78 -33.19 4.31 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.581 0.628 . . . . 0.0 111.412 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.76 -31.36 2.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.777 -166.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.645 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 7.6 mtmm . . . . . 0 C--O 1.244 0.801 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.728 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 122.166 0.984 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.92 129.91 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.794 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.44 149.25 43.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.91 -15.14 40.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.757 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.57 -7.92 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.7 -15.76 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 111.078 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.1 -16.54 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.044 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' OE2' ' HG ' ' A' ' 36' ' ' LEU . 4.1 mt-10 -140.29 139.59 35.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.38 148.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.55 134.94 55.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.94 170.16 2.83 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.129 0.972 . . . . 0.0 113.505 -171.499 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.681 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 64.1 Cg_exo -47.22 -41.34 27.62 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.179 2.586 . . . . 0.0 113.801 173.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -147.11 -27.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 25.2 p -115.32 42.68 2.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 -168.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.665 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -89.56 26.95 1.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.384 0.611 . . . . 0.0 109.479 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -146.98 -21.16 0.41 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -166.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.69 -33.03 1.09 Allowed 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.656 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 86.48 22.49 47.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.201 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -147.52 159.42 43.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 0.0 111.279 -175.348 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' THR . 36.1 mm -128.07 106.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 173.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 60.41 50.31 6.13 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.616 0.572 . . . . 0.0 111.226 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.94 2.32 8.01 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.767 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -119.82 146.19 41.24 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.569 -0.316 . . . . 0.0 110.793 -168.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -53.99 130.09 37.58 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.128 2.552 . . . . 0.0 112.597 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 41.9 t -82.97 132.81 49.8 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -30.42 -62.56 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 126.205 4.603 . . . . 0.0 116.632 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.16 -3.0 10.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -164.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 29.1 p -123.24 -2.15 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 118.574 -1.25 . . . . 0.0 112.683 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.3 m 40.18 31.71 0.1 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 96.26 26.75 10.73 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.347 -0.93 . . . . 0.0 114.424 176.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 29' ' ' CYS . 8.0 mtmp? -100.08 -35.82 9.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.329 1.064 . . . . 0.0 110.356 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 111.43 -39.8 2.76 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.41 162.42 10.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 122.764 -0.257 . . . . 0.0 111.26 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.487 HG23 ' SG ' ' A' ' 12' ' ' CYS . 8.5 pt -124.79 158.7 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.491 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' OE2' ' A' ' 9' ' ' GLU . 3.5 mp -87.72 164.29 16.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.49 0.662 . . . . 0.0 112.494 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -105.8 179.65 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.524 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.5 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.5 0.591 . . . . 0.0 111.212 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -59.88 -44.16 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.653 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.12 72.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.933 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.618 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.8 m-85 -70.11 -32.39 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -70.36 -31.78 69.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.599 0.714 . . . . 0.0 110.059 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.8 -17.1 34.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.259 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -84.42 -43.99 14.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.905 -176.663 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.69 -22.3 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.286 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.1 t80 -75.06 -41.31 59.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.351 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.611 HG21 HG22 ' B' ' 47' ' ' ILE . 20.9 pt -79.82 -29.36 12.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.66 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 76.6 mm-40 -54.12 -58.84 5.83 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.251 0.548 . . . . 0.0 109.954 168.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HA ' ' OXT' ' A' ' 53' ' ' LYS . 19.3 ttmt -76.77 -3.24 37.22 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.862 -164.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -116.95 -2.43 11.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.293 -1.363 . . . . 0.0 113.382 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -120.75 -34.69 3.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.955 -0.466 . . . . 0.0 111.463 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -131.41 -28.49 1.87 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.326 -166.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' OXT' ' HA ' ' A' ' 49' ' ' LYS . 24.7 mtmt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.015 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 122.129 0.966 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.05 129.8 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.664 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.91 42.71 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.11 0.481 . . . . 0.0 110.37 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -63.39 -14.22 47.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.75 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -81.06 -9.59 59.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.648 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -103.52 -13.9 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.916 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.03 -16.97 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 0.0 111.08 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.48 ' OE2' ' HG ' ' B' ' 36' ' ' LEU . 4.2 mt-10 -140.11 138.66 35.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.55 0.691 . . . . 0.0 109.316 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.23 147.94 32.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 134.35 53.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.131 0.491 . . . . 0.0 111.008 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.629 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.1 OUTLIER -61.69 171.19 1.48 Allowed Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.355 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 64.8 Cg_exo -47.25 -42.7 27.03 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.271 2.647 . . . . 0.0 113.692 172.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -146.31 -28.46 0.41 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -167.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 31.8 p -114.72 41.54 2.34 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.652 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.93 28.02 1.46 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.223 0.535 . . . . 0.0 109.682 -178.349 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.443 ' H ' ' H ' ' B' ' 18' ' ' ALA . 19.3 ptp180 -147.39 -21.82 0.38 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -166.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.443 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -133.69 -33.37 1.08 Allowed 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.68 -172.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.459 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 86.12 24.18 41.86 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.485 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 1.8 pt-20 -146.55 160.66 41.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.233 0.539 . . . . 0.0 111.309 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.562 ' O ' ' HB ' ' B' ' 24' ' ' THR . 39.7 mm -128.05 106.65 15.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 58.51 54.41 5.52 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.718 0.636 . . . . 0.0 110.738 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 10.18 27.2 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.222 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.562 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -127.88 145.98 57.21 Favored Pre-proline 0 C--N 1.304 -1.397 0 CA-C-N 114.976 -0.612 . . . . 0.0 111.522 -167.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 130.6 39.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.276 2.65 . . . . 0.0 112.372 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 48.5 t -86.15 132.47 43.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.147 -169.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -29.76 -63.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 1 C-N-CA 126.149 4.566 . . . . 0.0 116.493 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.07 -0.66 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -165.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.2 p -122.61 -2.38 8.9 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.432 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m 37.52 32.99 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 95.37 26.91 11.33 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.385 -0.912 . . . . 0.0 114.399 175.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 29' ' ' CYS . 8.0 mtmp? -100.6 -35.59 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.111 0.955 . . . . 0.0 110.4 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.18 -39.53 2.86 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' B' ' 11' ' ' ALA . 25.1 m -112.43 162.76 10.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 122.708 -0.289 . . . . 0.0 111.197 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.629 HG23 ' SG ' ' B' ' 12' ' ' CYS . 7.1 pt -124.41 158.87 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 3.4 mp -87.83 163.87 16.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.546 0.689 . . . . 0.0 112.351 -172.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.56 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.516 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.81 79.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.5 0.591 . . . . 0.0 111.433 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -59.91 -44.24 94.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 110.599 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.83 -31.08 72.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.976 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.626 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.5 m-85 -70.12 -32.57 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.154 0.181 . . . . 0.0 111.41 178.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -70.44 -31.71 69.0 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.502 0.668 . . . . 0.0 109.939 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.2 mp -86.64 -16.72 35.76 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.213 -176.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -84.71 -44.01 13.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.074 -176.726 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.45 -22.47 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.259 0.552 . . . . 0.0 110.206 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -74.9 -41.33 59.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.33 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.624 HG21 HG22 ' C' ' 47' ' ' ILE . 21.6 pt -79.96 -29.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.728 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.1 mm-40 -54.5 -58.76 6.22 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 121.032 0.444 . . . . 0.0 110.053 168.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.511 ' HA ' ' OXT' ' B' ' 53' ' ' LYS . 18.7 ttmt -76.89 -3.39 38.39 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.905 -165.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -117.05 -1.95 11.81 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 118.253 -1.379 . . . . 0.0 113.5 170.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.06 -36.65 3.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 111.577 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASN . . . . . 0.423 ' HB2' HD12 ' C' ' 51' ' ' LEU . 2.3 m-20 -128.45 -29.19 2.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.094 -166.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.511 ' OXT' ' HA ' ' B' ' 49' ' ' LYS . 25.2 mtmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.617 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.889 0.852 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.41 129.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.698 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.55 148.99 43.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.084 0.469 . . . . 0.0 110.49 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -61.65 -15.86 43.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.044 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.77 -8.92 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.84 -14.34 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.89 -17.28 12.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 111.035 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLU . . . . . 0.484 ' OE2' ' HG ' ' C' ' 36' ' ' LEU . 4.0 mt-10 -139.75 139.45 36.49 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.96 148.41 31.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.669 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.97 135.23 55.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.073 0.463 . . . . 0.0 110.951 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' C' ' 35' ' ' ILE . 0.1 OUTLIER -61.34 170.95 1.41 Allowed Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -171.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.468 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 65.1 Cg_exo -47.11 -41.61 26.73 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.289 2.659 . . . . 0.0 113.84 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -147.76 -29.64 0.33 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -166.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 15.0 p -115.17 41.65 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -165.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.669 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.41 27.68 1.64 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.305 0.574 . . . . 0.0 109.801 -178.137 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -146.44 -18.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -166.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.06 -34.75 0.79 Allowed 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.673 -171.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.472 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 87.49 22.76 42.42 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.688 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -146.53 159.49 43.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.201 0.501 . . . . 0.0 111.501 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.647 ' O ' ' HB ' ' C' ' 24' ' ' THR . 37.1 mm -127.14 105.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.07 54.02 5.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.567 0.542 . . . . 0.0 110.838 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 9.77 26.24 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.1 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.9 m -126.98 144.25 49.68 Favored Pre-proline 0 C--N 1.303 -1.421 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.971 -166.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.23 130.38 39.41 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.261 2.641 . . . . 0.0 112.43 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' C' ' 29' ' ' CYS . 44.4 t -85.29 133.51 42.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -169.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -30.63 -63.59 0.1 Allowed 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 126.056 4.504 . . . . 0.0 116.494 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.7 -1.26 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -164.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' C' ' 26' ' ' CYS . 30.8 p -122.31 -2.33 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.569 -1.253 . . . . 0.0 112.555 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m 40.29 30.24 0.07 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.3 31.49 7.95 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.459 -0.876 . . . . 0.0 114.089 176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' C' ' 29' ' ' CYS . 7.8 mtmp? -103.67 -36.29 7.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 117.794 0.797 . . . . 0.0 110.357 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.63 -39.46 2.88 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -176.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -112.89 162.32 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 122.634 -0.333 . . . . 0.0 111.295 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.596 HG23 ' SG ' ' C' ' 12' ' ' CYS . 7.4 pt -124.71 158.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.481 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' OE2' ' C' ' 9' ' ' GLU . 3.5 mp -87.98 164.32 15.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.579 0.704 . . . . 0.0 112.574 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 80.7 p -105.82 178.48 4.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.561 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.98 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.529 0.604 . . . . 0.0 111.271 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -59.4 -45.6 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.616 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.76 -31.04 75.07 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.939 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.62 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.4 m-85 -70.55 -31.04 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -71.14 -32.15 68.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.584 0.707 . . . . 0.0 110.013 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.38 -17.46 34.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -83.97 -43.85 14.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.148 -176.606 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -71.65 -22.38 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.277 0.561 . . . . 0.0 110.159 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.484 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.8 t80 -75.05 -41.3 59.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.283 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.624 HG22 HG21 ' B' ' 47' ' ' ILE . 21.0 pt -79.99 -28.75 12.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.712 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 77.4 mm-40 -54.87 -58.63 6.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 121.132 0.492 . . . . 0.0 110.069 168.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.46 ' HA ' ' OXT' ' C' ' 53' ' ' LYS . 18.6 ttmt -77.03 -3.31 38.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.964 -165.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -116.87 -2.54 11.79 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.232 -1.387 . . . . 0.0 113.296 170.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.6 mm? -120.84 -36.13 3.22 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.184 0.516 . . . . 0.0 111.629 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -129.53 -28.17 2.31 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.227 -166.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.46 ' OXT' ' HA ' ' C' ' 49' ' ' LYS . 24.3 mtmt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.419 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.8 140.58 42.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.744 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.83 7.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.179 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -60.64 -23.05 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.78 -5.01 56.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -101.73 4.88 41.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 110.669 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.7 mt -131.69 -33.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -135.87 143.53 45.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.17 141.99 44.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.182 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.91 132.93 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.11 0.481 . . . . 0.0 111.425 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.788 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.4 t -66.21 162.87 43.77 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.404 1.082 . . . . 0.0 111.626 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.788 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 42.4 Cg_exo -41.41 -40.68 4.89 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.622 2.881 . . . . 0.0 116.066 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 21' ' ' ILE . 64.3 tttp -143.56 -36.73 0.36 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -156.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -115.74 34.11 5.12 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 120.268 1.394 . . . . 0.0 112.649 -161.085 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.778 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 13.4 mm-40 -98.62 42.6 1.09 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.19 1.472 . . . . 0.0 108.875 -164.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -147.1 -27.31 0.39 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.37 -2.65 . . . . 0.0 106.564 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.88 -35.95 3.77 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.42 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.85 19.84 55.14 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.55 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 5.3 pt-20 -158.76 156.21 29.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.585 ' O ' ' HB ' ' A' ' 24' ' ' THR . 51.7 mt -128.14 113.23 29.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 58.58 45.31 16.38 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.758 0.661 . . . . 0.0 111.563 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.89 8.6 35.46 Favored Glycine 0 CA--C 1.503 -0.673 0 C-N-CA 119.85 -1.166 . . . . 0.0 111.991 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -120.25 146.91 43.73 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.107 -0.546 . . . . 0.0 111.616 -173.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.58 137.8 73.94 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.307 2.671 . . . . 0.0 111.838 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.1 t -89.05 131.4 41.18 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.368 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD2' HD12 ' A' ' 21' ' ' ILE . 44.0 Cg_exo -38.5 -52.73 1.94 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 125.234 3.956 . . . . 0.0 115.373 -172.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.45 -15.71 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.847 -167.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 24.3 p -135.87 111.74 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.645 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -82.53 49.72 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.35 60.21 1.12 Allowed Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.075 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' B' ' 49' ' ' LYS . 51.6 mttm -123.66 -50.87 1.84 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.38 0.609 . . . . 0.0 109.433 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.598 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . 120.97 -36.15 3.43 Favored Glycine 0 N--CA 1.434 -1.497 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -167.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.12 165.68 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.279 -1.13 . . . . 0.0 113.323 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 pt -124.02 169.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.687 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD22 HD23 ' A' ' 44' ' ' LEU . 2.6 mp -87.4 153.59 21.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -107.18 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.28 64.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -52.08 -48.76 64.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.225 0.536 . . . . 0.0 110.518 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.23 -29.02 73.09 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.798 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -69.11 -35.81 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.569 -0.371 . . . . 0.0 111.661 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -69.98 -30.44 67.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.616 0.722 . . . . 0.0 110.144 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.5 -17.72 33.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.622 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -80.54 -42.98 21.44 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.957 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.5 -22.88 62.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.708 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 71.0 t80 -76.2 -41.06 50.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.395 174.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.625 HG22 HG21 ' C' ' 47' ' ' ILE . 20.2 pt -79.98 -28.23 12.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.393 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.2 mm-40 -55.45 -57.03 13.59 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.675 0.75 . . . . 0.0 109.232 165.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.8 ttmt -78.32 -7.12 56.88 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.245 -1.343 . . . . 0.0 112.962 -163.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.53 -0.9 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 117.778 -1.569 . . . . 0.0 114.142 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.4 mm? -117.96 -42.27 2.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.478 0.656 . . . . 0.0 110.874 171.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -116.63 -31.91 5.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.199 -165.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.1 mtmt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.377 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.689 0.756 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -139.37 140.69 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.765 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.16 171.4 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.256 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.19 -23.43 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.458 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.03 -4.36 54.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -101.4 2.05 39.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.486 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.5 mt -128.67 -34.1 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.924 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -135.58 142.43 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.429 0.633 . . . . 0.0 110.884 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.26 141.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 131.83 47.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.232 0.539 . . . . 0.0 111.189 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.844 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 1.7 t -65.49 163.56 32.49 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.754 1.221 . . . . 0.0 112.093 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.844 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -41.47 -42.31 5.62 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.518 2.812 . . . . 0.0 116.221 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.463 ' HD3' HG23 ' B' ' 21' ' ' ILE . 65.4 tttp -144.8 -34.42 0.36 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -156.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.73 ' HB2' ' O ' ' B' ' 20' ' ' GLU . 0.8 OUTLIER -114.79 33.01 5.62 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 120.466 1.484 . . . . 0.0 113.017 -161.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.783 ' CD ' ' HB3' ' B' ' 12' ' ' CYS . 13.3 mm-40 -100.54 42.65 1.1 Allowed 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 123.461 1.601 . . . . 0.0 109.258 -163.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' B' ' 18' ' ' ALA . 2.9 ptm180 -147.21 -24.37 0.39 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.42 -2.627 . . . . 0.0 106.782 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -120.45 -36.43 3.21 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.532 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.14 57.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.989 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.73 ' O ' ' HB2' ' B' ' 15' ' ' CYS . 6.4 pt-20 -155.17 157.05 36.8 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.271 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.612 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 41.4 mt -129.84 113.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 57.41 46.42 18.23 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.056 0.848 . . . . 0.0 111.369 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.443 ' HA2' ' OE1' ' B' ' 20' ' ' GLU . . . 63.92 12.12 47.15 Favored Glycine 0 CA--C 1.507 -0.435 0 C-N-CA 119.864 -1.16 . . . . 0.0 112.006 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -124.77 144.72 47.49 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 114.706 -0.747 . . . . 0.0 111.425 -171.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.49 134.01 55.82 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.379 2.72 . . . . 0.0 112.059 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 42.8 t -84.39 131.08 51.47 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.484 -171.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -38.02 -54.11 1.44 Allowed 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 124.943 3.762 . . . . 0.0 115.424 -174.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 -15.41 14.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.35 -168.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 15.7 p -137.47 114.23 10.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -82.11 48.31 1.23 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.61 61.39 1.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.424 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.43 ' HD3' ' HG2' ' C' ' 49' ' ' LYS . 51.6 mttm -123.83 -50.52 1.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.502 0.668 . . . . 0.0 109.226 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.614 ' O ' ' HB3' ' B' ' 16' ' ' GLU . . . 120.77 -36.39 3.37 Favored Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -167.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -130.09 165.63 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 121.234 -1.156 . . . . 0.0 113.421 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 pt -123.93 169.66 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.756 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.464 HD22 HD23 ' B' ' 44' ' ' LEU . 2.6 mp -87.77 153.0 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -172.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -107.02 176.81 5.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.89 -48.02 67.48 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -51.99 -49.13 63.89 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.261 0.553 . . . . 0.0 110.643 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.29 -28.99 73.04 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.914 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -69.14 -35.4 76.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.517 -0.402 . . . . 0.0 111.702 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.631 0.729 . . . . 0.0 110.203 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -86.15 -17.84 33.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.587 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -80.44 -43.04 21.61 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.098 -179.412 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.51 -22.76 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 110.607 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.431 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 72.0 t80 -76.12 -41.35 50.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.601 HG22 HG21 ' A' ' 47' ' ' ILE . 19.8 pt -79.83 -28.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.416 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.8 mm-40 -55.93 -56.18 23.79 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 166.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.509 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.5 ttmt -78.52 -7.61 57.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.864 -163.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.36 -1.08 11.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 117.69 -1.604 . . . . 0.0 114.297 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.4 mm? -117.26 -43.42 2.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.541 0.686 . . . . 0.0 110.549 170.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.3 -33.74 5.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.114 -165.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--O 1.244 0.767 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.693 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 121.782 0.801 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -136.08 140.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.822 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 172.65 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.383 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -61.24 -23.92 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.202 0.525 . . . . 0.0 110.881 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.18 -3.68 52.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.013 -174.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.48 2.98 39.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.981 0.42 . . . . 0.0 110.419 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.85 -34.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.83 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -135.57 143.79 45.84 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.735 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.76 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.075 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 133.92 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.177 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.839 ' HB3' ' CD ' ' C' ' 16' ' ' GLU . 2.6 t -65.13 163.12 33.32 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.434 1.094 . . . . 0.0 111.684 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.815 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 31.8 Cg_exo -41.45 -42.28 5.57 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.518 2.812 . . . . 0.0 116.029 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' LYS . . . . . 0.476 ' HD3' HG23 ' C' ' 21' ' ' ILE . 65.3 tttp -143.21 -35.9 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 -156.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.72 ' HB2' ' O ' ' C' ' 20' ' ' GLU . 1.1 p -115.21 34.06 5.09 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 120.606 1.548 . . . . 0.0 112.912 -160.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.839 ' CD ' ' HB3' ' C' ' 12' ' ' CYS . 12.5 mm-40 -99.91 43.52 1.06 Allowed 'General case' 0 C--N 1.28 -2.445 0 CA-C-O 123.255 1.502 . . . . 0.0 109.042 -163.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -147.24 -26.16 0.39 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 111.563 -2.562 . . . . 0.0 106.689 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.34 -35.91 3.48 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.608 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.85 17.43 56.44 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.076 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.72 ' O ' ' HB2' ' C' ' 15' ' ' CYS . 4.4 pt-20 -155.76 157.48 36.6 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.112 0.482 . . . . 0.0 110.419 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.627 ' O ' ' HB ' ' C' ' 24' ' ' THR . 38.3 mt -129.53 112.82 25.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 57.79 47.76 14.9 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.077 0.86 . . . . 0.0 111.257 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 11.05 41.43 Favored Glycine 0 CA--C 1.508 -0.4 0 C-N-CA 120.311 -0.947 . . . . 0.0 111.903 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.3 m -123.97 144.14 44.25 Favored Pre-proline 0 C--N 1.308 -1.218 0 CA-C-N 114.736 -0.732 . . . . 0.0 111.294 -170.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -53.89 135.55 63.51 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.084 2.523 . . . . 0.0 111.958 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.3 t -87.32 130.09 48.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.77 -170.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -36.89 -52.66 1.27 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 125.219 3.946 . . . . 0.0 115.657 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.15 -18.91 13.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.214 -168.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 31.5 p -131.59 107.56 8.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -80.59 54.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.091 0.472 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 57.59 1.63 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.518 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -122.13 -49.39 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.466 0.65 . . . . 0.0 109.755 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.593 ' O ' ' HB3' ' C' ' 16' ' ' GLU . . . 120.03 -36.41 3.45 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.99 166.07 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.305 -1.115 . . . . 0.0 113.118 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 29.6 pt -123.98 170.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.654 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.46 HD22 HD23 ' C' ' 44' ' ' LEU . 2.6 mp -87.79 153.66 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.516 0.674 . . . . 0.0 112.798 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -107.38 176.37 5.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.188 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.02 63.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -51.51 -48.94 62.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.202 0.525 . . . . 0.0 110.417 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.29 -29.48 73.2 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.84 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.581 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.9 m-85 -69.05 -35.24 76.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.56 -0.376 . . . . 0.0 111.59 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.4 m -70.41 -31.01 68.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.627 0.727 . . . . 0.0 110.217 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -86.28 -17.46 34.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.544 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -80.52 -43.09 21.32 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.997 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.6 -22.7 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.632 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.426 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 71.7 t80 -76.06 -41.37 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.514 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.625 HG21 HG22 ' A' ' 47' ' ' ILE . 20.4 pt -79.75 -28.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.442 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.4 mm-40 -55.82 -56.26 22.69 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.688 0.756 . . . . 0.0 109.296 166.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.512 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 31.7 ttmt -78.2 -8.58 58.5 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.852 -163.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.86 -1.26 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.718 -1.593 . . . . 0.0 114.18 173.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.4 mm? -117.08 -42.39 2.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.771 170.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -116.09 -32.82 5.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.141 -165.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.5 mtmt . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.887 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.198 0.523 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.12 135.98 54.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 148.41 46.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.861 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -12.9 58.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.452 -175.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.28 -3.54 52.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -103.81 -16.31 15.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.67 -22.57 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.402 . . . . 0.0 111.205 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -126.05 127.05 45.24 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.407 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.57 141.6 44.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.853 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.597 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.02 130.04 42.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.0 110.677 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.886 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 43.6 t -63.61 158.84 56.76 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -169.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.886 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 33.4 Cg_exo -37.98 -39.43 0.89 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.427 2.751 . . . . 0.0 115.171 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -145.88 -26.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 15.2 p -118.66 47.26 1.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -172.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.58 23.75 2.91 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 122.185 -0.322 . . . . 0.0 111.465 -175.106 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -15.63 0.36 Allowed 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.63 -39.85 3.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.094 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.29 15.67 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.486 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.2 pt-20 -155.54 161.77 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.649 -0.324 . . . . 0.0 110.357 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.416 HG13 ' HG ' ' A' ' 15' ' ' CYS . 14.9 mt -141.33 121.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 55.36 42.03 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.76 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.04 10.81 7.45 Favored Glycine 0 CA--C 1.51 -0.257 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.857 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.77 145.41 39.33 Favored Pre-proline 0 N--CA 1.437 -1.111 0 C-N-CA 122.836 0.454 . . . . 0.0 110.444 -172.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.98 126.08 21.07 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.09 2.527 . . . . 0.0 112.291 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 53.0 t -78.28 136.42 60.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.064 -171.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -27.47 -57.34 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.987 1 C-N-CA 126.524 4.816 . . . . 0.0 116.631 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.05 -7.1 7.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.13 0.49 . . . . 0.0 111.823 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 29.2 p -131.53 93.41 3.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 p -75.93 53.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.2 0.524 . . . . 0.0 112.076 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 97.07 47.89 2.16 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.341 173.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -116.0 -47.63 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.773 0.796 . . . . 0.0 108.919 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 119.22 -39.2 2.59 Favored Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.74 161.11 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.819 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 pt -124.93 169.62 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.937 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 2.9 mp -88.46 161.74 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -174.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.3 p -105.74 -177.09 3.26 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.288 172.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.7 89.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.739 0.7 . . . . 0.0 111.269 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.18 -39.11 85.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.423 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.78 73.67 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.823 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.642 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.7 m-85 -69.96 -34.1 72.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.4 m -69.84 -31.87 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.465 0.65 . . . . 0.0 110.377 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.1 mp -85.48 -21.48 28.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.834 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.68 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -78.32 -44.96 23.84 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.681 -176.607 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.48 -21.26 61.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.486 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 63.7 t80 -75.75 -43.34 47.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.24 173.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.566 HG22 HG21 ' C' ' 47' ' ' ILE . 18.6 pt -79.47 -26.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.312 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.3 mm-40 -57.87 -59.06 5.82 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 165.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -77.54 -3.97 43.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.364 -165.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -116.8 -1.85 11.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 118.147 -1.421 . . . . 0.0 113.767 169.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.5 mm? -120.67 -55.46 2.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.376 0.608 . . . . 0.0 111.027 172.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -106.39 -22.97 12.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.866 -168.351 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 19.3 mtmt . . . . . 0 C--O 1.245 0.85 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.296 0.57 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.72 135.74 56.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.696 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.32 45.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -14.49 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.406 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.51 -2.71 50.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.325 -176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -104.16 -17.55 14.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.31 -22.36 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 111.285 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -125.95 127.75 46.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.436 176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.07 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.942 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.582 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.43 129.71 41.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.934 0.397 . . . . 0.0 110.558 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.926 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 44.2 t -64.58 158.06 69.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.808 0.843 . . . . 0.0 113.198 -168.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.926 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 33.9 Cg_exo -37.33 -37.17 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.515 2.81 . . . . 0.0 115.696 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -148.66 -24.99 0.32 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -166.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 15.7 p -118.59 44.46 2.27 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -171.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.593 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.14 22.95 3.03 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 122.34 -0.225 . . . . 0.0 111.247 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.438 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -147.52 -15.7 0.38 Allowed 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -176.511 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.438 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -114.94 -37.85 4.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.286 -174.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 87.36 15.92 61.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.308 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -156.58 160.96 39.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 13.7 mt -141.69 123.15 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 53.7 42.06 31.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.714 0.634 . . . . 0.0 110.878 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.99 13.58 8.83 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.727 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.9 144.81 41.94 Favored Pre-proline 0 N--CA 1.433 -1.294 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.723 -173.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.78 124.22 15.72 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.099 2.532 . . . . 0.0 112.033 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 44.1 t -77.15 136.59 65.49 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.818 -169.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -28.21 -56.25 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.046 1 C-N-CA 126.412 4.741 . . . . 0.0 116.582 -177.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.13 -6.92 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -168.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 20.1 p -130.31 93.61 3.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -76.17 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.289 0.566 . . . . 0.0 111.953 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 96.66 50.85 1.76 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.975 174.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -119.02 -47.23 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.593 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 119.04 -38.82 2.72 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.4 161.75 12.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.168 0.509 . . . . 0.0 111.869 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.41 169.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.012 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.465 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 2.8 mp -88.29 160.96 17.42 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -105.45 -176.44 3.08 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.245 173.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.66 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.766 0.712 . . . . 0.0 111.161 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.19 -40.07 88.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 110.448 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.41 -32.64 75.79 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.787 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.621 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.3 m-85 -70.22 -33.06 71.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -70.3 -32.39 70.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.526 0.679 . . . . 0.0 110.421 176.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.432 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.1 mp -85.37 -21.15 28.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.92 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -78.52 -44.47 24.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.714 -176.602 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.47 -21.77 61.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.479 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.442 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -75.57 -42.92 50.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.214 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.564 HG22 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.53 -26.59 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.317 -176.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 85.2 mm-40 -57.54 -59.22 5.49 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 165.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 2.4 ttmp? -77.59 -4.0 43.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.349 -164.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.65 -1.49 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.124 -1.431 . . . . 0.0 113.789 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.5 mm? -120.63 -56.56 1.95 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.45 0.643 . . . . 0.0 110.857 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' B' ' 52' ' ' ASN . 0.3 OUTLIER -105.98 -21.99 13.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.748 -167.538 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.096 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 121.519 0.676 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -119.94 135.26 60.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.32 44.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.721 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -12.87 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.501 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.46 -6.39 58.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.166 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -103.38 -14.73 16.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.2 -22.25 9.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.088 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -126.23 128.25 46.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.29 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -126.51 141.89 44.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.93 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.588 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.31 129.52 40.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.486 -178.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.923 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 53.3 t -63.23 158.77 53.97 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.689 -169.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.923 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 34.0 Cg_exo -37.52 -39.07 0.64 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.515 2.81 . . . . 0.0 115.005 177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -146.28 -26.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -165.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.478 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 27.8 p -117.75 43.97 2.27 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -169.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.588 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.31 22.45 3.34 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -172.515 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -147.02 -10.29 0.44 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -176.057 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -120.4 -41.42 2.61 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.894 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.452 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.16 16.38 55.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.779 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.58 161.82 40.77 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.676 -0.308 . . . . 0.0 110.304 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 13.0 mt -142.29 122.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 55.47 41.1 31.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.774 -174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.77 11.11 9.67 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.689 -176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 144.45 37.19 Favored Pre-proline 0 N--CA 1.435 -1.219 0 CA-C-N 115.228 -0.486 . . . . 0.0 110.305 -172.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.58 128.17 29.23 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.066 2.511 . . . . 0.0 112.059 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' C' ' 15' ' ' CYS . 35.4 t -79.83 135.24 55.88 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.639 -169.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 62.7 Cg_exo -28.49 -55.19 0.14 Allowed 'Trans proline' 0 C--N 1.357 0.985 1 C-N-CA 126.326 4.684 . . . . 0.0 117.029 -176.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.8 -8.52 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.084 0.468 . . . . 0.0 111.636 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 29.3 p -130.14 91.24 3.08 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.5 p -74.3 53.12 0.5 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 96.9 49.21 1.96 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.012 174.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -117.88 -46.28 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.84 -39.27 2.66 Favored Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -172.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.91 161.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.059 0.457 . . . . 0.0 111.934 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 21.5 pt -124.93 169.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.943 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.445 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mp -88.38 161.22 17.21 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -105.6 -178.6 3.7 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.33 172.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.57 82.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.676 0.671 . . . . 0.0 111.487 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.97 -40.07 87.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.826 0.346 . . . . 0.0 110.436 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.51 75.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.835 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.641 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.7 m-85 -69.91 -34.49 73.57 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.291 0.236 . . . . 0.0 111.486 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -69.69 -32.0 70.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.501 0.667 . . . . 0.0 110.382 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.44 ' O ' HG12 ' C' ' 47' ' ' ILE . 6.3 mp -85.38 -21.43 28.85 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.911 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.659 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -78.34 -44.71 24.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.745 -176.639 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.61 -21.28 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.497 . . . . 0.0 110.535 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.465 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.5 t80 -75.83 -43.41 46.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.257 173.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.566 HG21 HG22 ' A' ' 47' ' ' ILE . 18.4 pt -79.3 -26.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.279 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -57.64 -59.22 5.53 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 165.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.4 ttmp? -77.61 -3.69 42.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.303 -165.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -116.76 -1.21 12.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 118.278 -1.369 . . . . 0.0 113.752 169.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.4 mm? -122.0 -55.88 1.86 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.365 0.603 . . . . 0.0 110.901 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ASN . . . . . 0.469 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -106.26 -21.32 13.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.982 -167.611 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.291 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.692 0.758 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.452 HG22 ' HG3' ' B' ' 39' ' ' GLN . 14.3 tt -126.64 137.09 58.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.679 -177.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.66 145.25 49.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -62.27 -15.9 50.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.694 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.35 -2.04 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.496 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.3 -15.69 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.04 -13.56 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -132.26 133.74 44.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.156 173.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.51 140.27 49.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.35 136.12 56.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.883 0.373 . . . . 0.0 110.504 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.1 m -60.14 171.33 0.95 Allowed Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -45.56 -42.69 18.49 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.405 2.736 . . . . 0.0 113.522 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE2' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -162.84 -1.22 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -173.41 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 25.5 p -115.52 39.3 3.01 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 117.673 -1.611 . . . . 0.0 114.023 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -91.36 35.98 0.93 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.652 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.83 -16.75 0.41 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.07 -26.27 2.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.396 -170.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 78.05 33.8 39.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 114.222 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.91 160.15 43.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.31 0.555 . . . . 0.0 111.492 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.464 ' O ' ' HB ' ' A' ' 24' ' ' THR . 33.3 mm -123.37 99.93 7.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 63.69 51.85 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.756 0.66 . . . . 0.0 111.288 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.54 6.51 6.29 Favored Glycine 0 CA--C 1.51 -0.232 0 C-N-CA 120.283 -0.96 . . . . 0.0 112.757 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -119.42 146.13 40.35 Favored Pre-proline 0 N--CA 1.438 -1.065 0 CA-C-N 115.602 -0.299 . . . . 0.0 110.358 -171.351 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.24 129.7 35.91 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.427 2.752 . . . . 0.0 112.468 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 47.7 t -83.05 136.59 43.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.148 -172.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 54.1 Cg_exo -32.17 -57.57 0.26 Allowed 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 125.586 4.191 . . . . 0.0 115.861 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.49 -8.88 9.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 111.981 -167.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 14.5 p -129.07 95.22 4.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -75.3 51.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 96.53 50.5 1.83 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.828 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -118.28 -47.04 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 118.53 -38.05 3.02 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -172.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -117.75 164.58 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 111.439 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.582 HG23 ' SG ' ' A' ' 12' ' ' CYS . 11.4 pt -125.12 166.65 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.005 173.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' B' ' 50' ' ' HIS . 4.5 mp -88.51 163.87 15.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.51 0.672 . . . . 0.0 112.506 -174.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.417 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 82.7 p -105.44 177.15 4.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.371 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.8 81.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.596 0.634 . . . . 0.0 111.546 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' C' ' 3' ' ' ILE . 53.6 tt0 -61.02 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.891 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.99 75.17 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.882 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.618 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.2 m-85 -70.2 -33.66 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.541 0.21 . . . . 0.0 111.227 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.1 m -68.94 -31.94 71.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.532 0.682 . . . . 0.0 110.054 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.4 -11.09 50.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -87.64 -43.34 12.03 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.154 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.38 -23.71 61.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.148 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -74.02 -41.78 61.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.147 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.644 HG22 HG21 ' C' ' 47' ' ' ILE . 18.8 pt -79.55 -27.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.984 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.4 mm-40 -55.03 -58.66 6.74 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.476 0.655 . . . . 0.0 109.866 168.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 32.4 ttmt -78.51 -2.24 37.71 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.858 -1.065 . . . . 0.0 113.107 -164.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.421 ' CE1' HD21 ' C' ' 36' ' ' LEU . 22.0 m80 -117.57 -2.71 11.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 117.797 -1.561 . . . . 0.0 113.904 170.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.6 mm? -118.49 -38.99 3.06 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 173.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -122.35 -30.18 4.01 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.045 -166.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 26.2 mtmt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.316 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.693 0.758 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.401 HG22 ' HG3' ' C' ' 39' ' ' GLN . 14.6 tt -127.74 137.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.754 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.69 146.19 48.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -62.18 -16.7 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.185 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.88 -1.27 51.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.53 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.28 -17.09 14.97 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.67 -13.62 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.39 133.58 44.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.7 141.06 47.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.086 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.584 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 135.14 55.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.286 0.565 . . . . 0.0 110.536 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.518 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -60.55 172.28 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -171.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 56.3 Cg_exo -46.69 -42.81 23.9 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.989 2.459 . . . . 0.0 113.182 172.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.46 0.71 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 21.0 p -116.4 41.8 2.56 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.713 1.597 . . . . 0.0 113.795 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.584 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.5 OUTLIER -90.71 36.74 0.9 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.747 -176.483 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.62 -19.16 0.37 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.12 -24.41 3.43 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.485 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 76.55 34.72 43.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.687 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 8.1 pt-20 -153.23 159.96 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.505 0.669 . . . . 0.0 111.427 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.473 ' O ' ' HB ' ' B' ' 24' ' ' THR . 35.3 mm -123.06 99.73 7.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 64.13 51.02 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.766 0.666 . . . . 0.0 111.321 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.72 7.16 7.48 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.82 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -119.84 146.79 42.67 Favored Pre-proline 0 N--CA 1.438 -1.033 0 C-N-CA 122.426 0.29 . . . . 0.0 110.386 -172.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.55 129.23 33.77 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.319 2.679 . . . . 0.0 112.727 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.0 t -82.54 136.51 45.47 Favored Pre-proline 0 N--CA 1.446 -0.667 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.0 Cg_exo -32.14 -57.18 0.27 Allowed 'Trans proline' 0 C--N 1.356 0.974 1 C-N-CA 125.789 4.326 . . . . 0.0 116.137 -178.238 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.55 -8.29 9.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.166 0.508 . . . . 0.0 111.763 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.5 p -130.12 95.94 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -75.75 51.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.485 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 97.85 50.28 1.66 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.251 174.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -118.43 -46.15 2.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.627 0.727 . . . . 0.0 109.21 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.59 -38.46 2.95 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -171.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.1 m -117.25 164.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.986 0.422 . . . . 0.0 111.743 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 12.4 pt -125.21 166.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.985 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.431 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -88.17 164.23 15.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.506 0.67 . . . . 0.0 112.48 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.419 ' O ' ' HD1' ' B' ' 41' ' ' TYR . 81.1 p -105.83 177.23 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.459 173.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.06 80.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.48 0.582 . . . . 0.0 111.408 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . 0.452 ' HG3' HG22 ' A' ' 3' ' ' ILE . 53.7 tt0 -60.76 -44.14 97.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.986 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.7 75.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.891 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.612 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.4 m-85 -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.57 0.224 . . . . 0.0 111.19 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -68.78 -32.31 71.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.02 -12.44 47.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.55 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -86.37 -43.52 12.79 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.237 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.31 -23.11 61.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.285 0.564 . . . . 0.0 110.105 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -74.16 -42.05 60.56 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.286 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.51 -28.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.844 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.6 mm-40 -55.06 -56.74 16.4 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.448 0.642 . . . . 0.0 109.731 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 33.4 ttmt -77.54 -5.87 51.63 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.632 -1.167 . . . . 0.0 113.004 -164.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.418 ' CE1' HD21 ' A' ' 36' ' ' LEU . 21.9 m80 -116.44 -2.45 12.04 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.659 172.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.5 mm? -119.12 -37.68 3.17 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -122.62 -33.16 3.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.012 -166.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.47 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.9 mtmt . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 121.62 0.724 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.409 HG22 ' HG3' ' A' ' 39' ' ' GLN . 14.4 tt -126.43 137.13 58.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.46 145.68 48.64 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 -16.36 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.9 -0.71 49.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.698 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.06 -16.95 15.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.73 -13.81 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.107 0.48 . . . . 0.0 110.479 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -132.57 132.97 43.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.193 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.2 141.23 46.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.585 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.29 134.95 55.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.856 0.36 . . . . 0.0 110.617 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.0 OUTLIER -58.13 171.84 0.53 Allowed Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 124.413 1.085 . . . . 0.0 113.508 -172.018 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.565 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 55.5 Cg_exo -46.96 -42.47 25.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.169 2.579 . . . . 0.0 113.576 171.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.4 -0.9 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -172.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 7.3 p -116.61 43.47 2.22 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.307 -1.496 . . . . 0.0 113.296 176.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.585 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -91.34 36.09 0.93 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.623 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -18.41 0.4 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.56 -25.31 3.17 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -171.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.428 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 78.79 32.1 42.01 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.994 -1.098 . . . . 0.0 114.066 177.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.7 pt-20 -152.28 160.0 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 111.413 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.541 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.0 mm -123.0 99.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 175.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 62.94 51.54 2.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.644 0.59 . . . . 0.0 111.421 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.18 9.17 10.42 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.507 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.13 145.97 43.19 Favored Pre-proline 0 N--CA 1.437 -1.088 0 CA-C-N 115.551 -0.325 . . . . 0.0 110.452 -173.125 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.46 126.62 22.9 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.289 2.659 . . . . 0.0 113.123 -176.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 50.0 t -78.32 135.24 61.72 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.497 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -31.62 -57.34 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 125.945 4.43 . . . . 0.0 116.015 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 -7.84 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -167.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.7 p -130.28 96.65 4.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.9 p -74.62 50.29 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.428 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 98.2 48.47 1.87 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.244 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -116.9 -45.17 2.78 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 109.25 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.53 -39.05 2.75 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 -172.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -116.14 164.71 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -125.5 166.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.779 173.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.424 HD22 HD23 ' C' ' 44' ' ' LEU . 4.5 mp -88.36 163.88 15.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.376 0.608 . . . . 0.0 112.398 -174.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' THR . . . . . 0.417 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 71.0 p -105.68 175.95 5.33 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.2 -46.35 72.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.378 0.535 . . . . 0.0 111.72 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' B' ' 3' ' ' ILE . 53.6 tt0 -60.8 -43.53 98.02 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.981 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.4 -30.02 75.86 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.85 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.616 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.7 m-85 -70.4 -33.84 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.274 0.23 . . . . 0.0 111.143 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -68.52 -32.25 72.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.56 0.695 . . . . 0.0 110.008 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -87.21 -12.21 47.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.575 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -86.52 -43.43 12.74 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.073 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.25 -23.55 62.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.285 0.564 . . . . 0.0 110.195 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -74.18 -42.03 60.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.284 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.644 HG21 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.53 -27.64 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.866 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.7 mm-40 -55.22 -56.62 17.92 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.425 0.631 . . . . 0.0 109.571 168.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.492 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 32.8 ttmt -77.57 -6.36 53.42 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.915 -163.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.404 ' CE1' HD21 ' B' ' 36' ' ' LEU . 22.0 m80 -116.52 -2.56 11.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 117.968 -1.493 . . . . 0.0 113.818 172.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.5 mm? -118.52 -36.02 3.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.537 0.684 . . . . 0.0 111.111 173.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -125.74 -32.33 2.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.051 -165.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 21.7 mtmt . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.672 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.21 131.59 71.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.118 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 148.62 44.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -64.03 -15.13 58.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.21 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.28 -4.35 57.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.434 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.5 -15.68 15.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.951 0.405 . . . . 0.0 110.621 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.95 -17.64 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.151 0.5 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.73 131.65 37.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.836 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.56 141.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.664 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.92 131.35 47.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.193 0.52 . . . . 0.0 110.668 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.814 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.6 164.57 6.95 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.903 -169.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.814 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 66.6 Cg_exo -48.21 -33.18 21.05 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.208 2.605 . . . . 0.0 114.306 175.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -149.04 -28.96 0.27 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -115.7 44.74 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -169.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.664 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 27.76 1.82 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -148.98 -20.7 0.3 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -164.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.58 -34.31 0.77 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.674 -172.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.47 19.13 46.33 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.217 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.6 pt-20 -158.4 166.63 31.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 110.732 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 24' ' ' THR . 32.0 mm -124.2 110.27 25.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.24 49.94 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.83 1.54 18.51 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.189 -0.529 . . . . 0.0 114.1 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -121.69 158.29 54.62 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 117.236 0.518 . . . . 0.0 110.942 -174.379 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.606 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.9 Cg_endo -57.46 139.49 90.32 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.283 2.655 . . . . 0.0 112.934 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' HB2' HG12 ' A' ' 21' ' ' ILE . 49.8 t -93.2 137.35 23.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.612 -174.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -29.55 -51.96 0.18 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.234 4.623 . . . . 0.0 116.768 -177.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 -6.33 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -168.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p -130.75 100.92 5.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -77.04 50.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.94 44.74 3.52 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.92 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' HD3' ' B' ' 49' ' ' LYS . 42.7 mttm -108.68 -44.06 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.795 0.807 . . . . 0.0 108.829 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.0 2.9 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.5 m -115.28 163.69 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 111.73 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 pt -124.77 165.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD22 HD23 ' A' ' 44' ' ' LEU . 4.7 mp -87.72 162.79 16.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.509 0.671 . . . . 0.0 112.599 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.0 p -105.12 -178.92 3.79 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.356 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.0 97.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.893 0.77 . . . . 0.0 111.586 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.13 -39.23 85.53 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.512 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.59 71.1 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.876 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.597 ' HA ' HD23 ' A' ' 44' ' ' LEU . 14.2 m-30 -69.33 -34.53 74.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.393 0.14 . . . . 0.0 110.807 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.6 m -69.12 -34.75 75.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.214 0.53 . . . . 0.0 110.579 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.89 -16.17 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -83.31 -42.98 16.5 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.169 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.32 -22.6 61.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 110.535 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.79 -43.12 56.43 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.095 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.634 HG22 HG21 ' C' ' 47' ' ' ILE . 20.7 pt -79.61 -29.36 13.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.701 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 75.8 mm-40 -54.0 -58.94 5.45 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 121.24 0.543 . . . . 0.0 109.717 167.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 2.9 ttmp? -76.63 -3.3 37.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.886 -164.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.408 ' CE1' HD21 ' C' ' 36' ' ' LEU . 18.5 m80 -117.77 -1.57 11.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.471 -1.292 . . . . 0.0 113.545 169.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.2 mm? -122.38 -43.77 2.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -122.83 -21.4 5.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -168.11 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 18.8 mtmt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.189 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.451 0.643 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.62 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.178 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.93 147.11 46.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.988 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -62.81 -16.73 59.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.042 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.58 -2.06 52.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -103.55 -19.22 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.399 . . . . 0.0 110.634 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.07 -17.29 13.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.705 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.87 132.29 40.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.479 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.82 140.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.646 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.64 131.95 49.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 110.55 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.807 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.69 164.83 8.71 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.915 -168.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.807 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 63.7 Cg_exo -48.79 -31.84 20.64 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.229 2.619 . . . . 0.0 114.558 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.88 -28.06 0.21 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -168.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 20.4 p -115.33 43.68 1.98 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -169.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.646 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.53 26.59 1.95 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.408 ' H ' ' H ' ' B' ' 18' ' ' ALA . 13.0 ptm180 -148.04 -21.63 0.35 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -163.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -135.49 -32.54 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.631 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.2 20.93 47.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.907 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.0 pt-20 -159.99 165.71 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.631 ' O ' HG22 ' B' ' 24' ' ' THR . 28.9 mm -124.71 111.2 27.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.8 47.58 19.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.0 109.963 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -0.72 24.25 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.072 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.631 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.6 OUTLIER -119.63 158.36 49.59 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 117.165 0.483 . . . . 0.0 110.398 -174.606 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.623 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.0 Cg_endo -55.56 145.15 71.1 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.962 2.441 . . . . 0.0 112.247 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 48.9 t -97.66 137.85 21.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.2 Cg_exo -30.1 -54.99 0.2 Allowed 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.847 4.365 . . . . 0.0 116.402 -177.634 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.96 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.52 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 23.9 p -131.21 100.02 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -76.69 52.4 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 112.205 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.85 47.59 3.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.734 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.436 ' HB3' ' HD3' ' C' ' 49' ' ' LYS . 42.6 mttm -112.5 -44.63 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' B' ' 16' ' ' GLU . . . 115.59 -38.8 2.96 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -172.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.8 m -114.65 163.54 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 0.0 111.722 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.3 pt -124.7 166.01 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.001 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.43 HD22 HD23 ' B' ' 44' ' ' LEU . 4.8 mp -87.52 163.34 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.456 0.646 . . . . 0.0 112.432 -174.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 74.6 p -105.25 -177.61 3.41 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.54 98.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.904 0.775 . . . . 0.0 111.43 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.12 -39.22 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.362 . . . . 0.0 110.473 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.6 -29.91 71.16 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.765 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.608 ' HA ' HD23 ' B' ' 44' ' ' LEU . 14.7 m-30 -69.45 -34.14 73.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.377 0.132 . . . . 0.0 110.675 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 42.0 m -69.3 -35.3 75.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 173.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.55 -16.44 36.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.119 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -82.88 -43.12 16.94 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.104 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.49 -22.41 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.337 0.589 . . . . 0.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -74.72 -42.96 57.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.133 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.635 HG21 HG22 ' C' ' 47' ' ' ILE . 20.4 pt -79.73 -29.22 12.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.711 -176.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 75.1 mm-40 -54.12 -59.26 4.89 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.152 0.501 . . . . 0.0 109.778 167.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' B' ' 53' ' ' LYS . 2.9 ttmp? -76.39 -3.68 38.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.844 -164.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.412 ' CE1' HD21 ' A' ' 36' ' ' LEU . 18.2 m80 -117.56 -1.51 11.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.319 -1.352 . . . . 0.0 113.452 170.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -122.47 -45.23 2.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.324 0.511 . . . . 0.0 111.293 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASN . . . . . 0.526 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -120.61 -21.64 6.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.514 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.291 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.323 0.582 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 tt -121.31 131.96 71.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.252 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.69 43.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -15.35 62.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.789 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.43 -5.1 57.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -102.87 -17.77 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.717 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.54 -17.37 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.111 0.481 . . . . 0.0 110.629 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -134.58 131.67 38.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.57 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.69 140.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.626 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.18 131.17 46.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.387 0.613 . . . . 0.0 110.415 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.618 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -60.84 167.36 3.56 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.633 -168.399 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.618 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 71.1 Cg_exo -49.82 -35.66 40.27 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.921 2.414 . . . . 0.0 114.114 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -147.86 -28.5 0.34 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -167.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 26.7 p -115.29 44.04 1.91 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.626 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.422 ' H ' ' H ' ' C' ' 18' ' ' ALA . 13.2 ptm180 -148.4 -21.9 0.33 Allowed 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -163.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -135.0 -35.17 0.86 Allowed 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.798 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.24 35.84 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.179 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.0 pt-20 -158.63 168.12 27.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.132 0.492 . . . . 0.0 110.766 -178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.654 ' O ' HG22 ' C' ' 24' ' ' THR . 35.7 mm -126.25 109.97 22.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.19 48.87 12.13 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.336 0.398 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 0.93 15.02 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.998 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.654 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.5 OUTLIER -119.76 157.94 50.97 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 117.297 0.548 . . . . 0.0 110.928 -173.439 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 25' ' ' PRO . . . . . 0.57 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 17.7 Cg_endo -56.71 141.06 91.98 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.123 2.549 . . . . 0.0 112.534 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.47 ' HB2' HG12 ' C' ' 21' ' ' ILE . 47.6 t -97.19 138.73 21.23 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -174.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.464 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 43.5 Cg_exo -28.71 -56.11 0.14 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.333 4.689 . . . . 0.0 116.264 -177.215 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.17 -5.09 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 0.0 111.97 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 32.0 p -130.39 97.91 4.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -76.9 50.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.84 46.85 3.3 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.674 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -110.99 -43.51 3.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 108.964 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.7 -38.65 3.06 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.1 m -116.24 164.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.651 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.444 HG23 ' SG ' ' C' ' 12' ' ' CYS . 16.9 pt -124.79 166.69 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.091 173.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.428 HD22 HD23 ' C' ' 44' ' ' LEU . 4.7 mp -87.7 163.88 16.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.448 0.642 . . . . 0.0 112.597 -174.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 62.3 p -105.73 -177.98 3.52 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.29 99.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 119.035 0.834 . . . . 0.0 111.364 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.499 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.02 -29.62 72.34 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.884 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.599 ' HA ' HD23 ' C' ' 44' ' ' LEU . 14.5 m-30 -69.58 -34.61 74.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.006 -0.114 . . . . 0.0 110.743 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 40.7 m -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.156 0.503 . . . . 0.0 110.616 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.95 -16.49 35.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.216 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.7 OUTLIER -83.18 -42.68 17.02 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.068 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.4 -22.65 61.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.538 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -74.7 -43.22 56.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.635 HG22 HG21 ' B' ' 47' ' ' ILE . 20.3 pt -79.66 -29.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.772 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 76.5 mm-40 -53.67 -60.2 3.63 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 167.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.493 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.3 ttmp? -76.91 -2.39 33.34 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.0 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.417 ' CE1' HD21 ' B' ' 36' ' ' LEU . 18.1 m80 -117.49 -1.67 11.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.336 -1.346 . . . . 0.0 113.534 169.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.2 mm? -122.12 -43.95 2.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.377 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ASN . . . . . 0.478 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -121.43 -23.03 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.663 -168.725 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 23.6 mtmt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.98 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.905 0.859 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.95 134.26 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.811 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.34 151.23 49.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.004 0.431 . . . . 0.0 110.042 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -67.73 -9.8 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -174.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.47 -11.32 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.264 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -104.89 -6.65 19.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 6.7 mp -118.18 -19.57 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -140.21 137.79 34.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.408 173.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.0 148.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.71 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.13 132.74 51.34 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.741 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.778 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 29.3 t -66.88 161.22 63.84 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 123.777 0.831 . . . . 0.0 112.01 -169.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.778 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 21.0 Cg_exo -32.37 -44.5 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 123.687 2.925 . . . . 0.0 114.767 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.25 1.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -173.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 12.6 p -117.06 41.27 2.79 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 115.058 -2.657 . . . . 0.0 113.823 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.71 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.52 26.51 1.45 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -149.43 -26.78 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.5 -42.04 2.24 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.79 16.43 39.12 Favored Glycine 0 C--O 1.226 -0.369 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.184 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -158.48 164.85 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.51 ' O ' ' HB ' ' A' ' 24' ' ' THR . 37.2 mt -142.66 121.05 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 58.33 43.4 20.07 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.933 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.04 15.27 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.806 0.67 . . . . 0.0 112.31 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -121.6 146.3 45.05 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 114.129 -1.036 . . . . 0.0 110.509 -170.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.76 128.88 29.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.651 2.234 . . . . 0.0 111.888 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.06 135.38 44.9 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.636 -167.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -30.67 -57.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.154 1 C-N-CA 126.01 4.474 . . . . 0.0 116.085 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.32 -9.39 9.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -165.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -131.05 94.4 3.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.557 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -71.89 55.43 0.28 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.16 5.37 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.512 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HD2' ' HG3' ' B' ' 49' ' ' LYS . 16.6 mtmt -112.73 -43.18 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.486 0.66 . . . . 0.0 109.447 -177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 121.1 -38.48 2.67 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.307 -178.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -116.22 164.81 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 pt -128.17 161.52 36.35 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.869 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.9 165.33 15.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -170.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 60.9 p -106.82 178.97 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.631 173.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.75 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.458 0.572 . . . . 0.0 111.8 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.05 -43.52 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.696 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.23 -31.75 78.19 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.001 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.9 m-85 -69.6 -32.22 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.131 0.172 . . . . 0.0 111.193 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.7 m -71.45 -31.25 66.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.489 0.662 . . . . 0.0 109.95 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.83 -20.09 28.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.677 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -80.57 -43.88 19.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.837 -178.366 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.84 -22.75 61.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -74.17 -42.35 60.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.915 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.646 HG22 HG21 ' C' ' 47' ' ' ILE . 20.5 pt -79.18 -26.82 13.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 119.709 -0.797 . . . . 0.0 110.49 -177.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.2 mm-40 -55.34 -60.61 3.17 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.27 0.557 . . . . 0.0 109.706 167.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.564 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 15.4 ttpp -78.59 3.09 17.16 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.754 -165.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' NE2' HD21 ' C' ' 36' ' ' LEU . 59.4 m80 -117.16 -2.92 11.57 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 118.244 -1.382 . . . . 0.0 114.144 163.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.3 mm? -123.88 -43.58 2.11 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.779 0.718 . . . . 0.0 111.637 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.467 ' HB2' HD12 ' B' ' 51' ' ' LEU . 2.2 m-20 -119.89 -20.28 7.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.226 -168.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.5 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.715 175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.234 0.25 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.6 134.28 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.856 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.2 149.65 49.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.071 0.462 . . . . 0.0 109.814 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -67.18 -10.26 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.52 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 -10.36 59.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.223 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -104.97 -8.54 18.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.896 0.379 . . . . 0.0 111.026 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.95 -19.65 10.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.937 0.399 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -140.34 139.51 35.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.172 173.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -131.05 148.8 33.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.738 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.22 130.67 44.79 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.854 0.359 . . . . 0.0 110.64 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.87 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 47.0 t -65.41 159.92 63.12 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.239 1.015 . . . . 0.0 111.803 -169.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.87 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 18.3 Cg_exo -31.09 -44.56 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.18 3.253 . . . . 0.0 114.93 175.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 -2.07 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 31.4 p -116.67 39.25 3.22 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 117.159 -1.816 . . . . 0.0 113.056 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.738 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.37 25.77 1.84 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.652 0.739 . . . . 0.0 109.154 -179.014 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -148.81 -22.77 0.31 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -166.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.82 -43.97 1.67 Allowed 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.392 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.06 17.59 34.36 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.262 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -159.58 164.12 34.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.821 0.31 . . . . 0.0 110.402 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.555 ' O ' ' HB ' ' B' ' 24' ' ' THR . 47.0 mt -142.79 117.95 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.817 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.46 44.91 14.29 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.745 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.91 22.17 11.73 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-O 122.168 0.871 . . . . 0.0 112.813 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.0 OUTLIER -125.83 145.09 50.56 Favored Pre-proline 0 C--N 1.298 -1.67 0 CA-C-N 114.023 -1.089 . . . . 0.0 110.053 -170.393 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.28 126.62 22.03 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.665 2.243 . . . . 0.0 111.681 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.42 ' SG ' HD12 ' B' ' 21' ' ' ILE . 42.4 t -80.46 135.26 53.59 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.703 -169.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -30.51 -58.68 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 125.95 4.433 . . . . 0.0 116.633 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.56 -11.62 9.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.271 0.558 . . . . 0.0 111.997 -165.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 22.2 p -130.08 93.49 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -71.57 54.63 0.23 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.62 5.27 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.409 ' HD2' ' HG3' ' C' ' 49' ' ' LYS . 15.8 mtmt -113.65 -42.21 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' B' ' 16' ' ' GLU . . . 121.7 -38.96 2.47 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.375 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.64 163.62 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.9 pt -126.94 161.57 33.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.452 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.552 HD21 ' NE2' ' C' ' 50' ' ' HIS . 4.5 mp -87.75 166.07 14.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -171.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.427 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.7 p -106.68 -179.87 4.06 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.481 172.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -45.81 92.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.634 0.652 . . . . 0.0 111.36 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.24 -41.49 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.799 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.44 87.93 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.001 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.614 ' HA ' HD23 ' B' ' 44' ' ' LEU . 5.4 m-85 -69.85 -32.96 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.453 0.168 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 20.3 m -69.76 -31.65 69.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.438 0.637 . . . . 0.0 110.568 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -87.06 -17.03 33.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.333 -176.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -83.47 -44.61 14.55 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.895 -177.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.06 -22.24 61.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.344 0.592 . . . . 0.0 109.935 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -74.56 -41.61 60.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.099 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.641 HG21 HG22 ' C' ' 47' ' ' ILE . 19.5 pt -79.45 -26.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.534 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -55.65 -60.11 3.9 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.303 0.573 . . . . 0.0 109.692 167.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.574 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 14.0 ttpp -79.22 2.93 19.41 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.104 -165.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.536 ' NE2' HD21 ' A' ' 36' ' ' LEU . 54.6 m80 -117.22 -2.31 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 118.156 -1.418 . . . . 0.0 114.285 163.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -123.46 -43.28 2.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.968 0.804 . . . . 0.0 111.741 176.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -119.22 -21.67 7.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.043 -168.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.574 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.2 mtmt . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.634 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.737 0.779 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -111.74 134.4 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.906 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.74 148.35 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.469 . . . . 0.0 110.134 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.31 -12.06 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.856 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.2 -10.27 59.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.251 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -105.4 -6.55 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.22 -19.89 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -140.49 138.05 34.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.077 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.39 148.35 33.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -175.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.673 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.52 131.07 46.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.085 0.469 . . . . 0.0 110.641 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.929 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 25.5 t -64.82 161.15 48.55 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 124.022 0.929 . . . . 0.0 112.056 -169.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.929 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 15.6 Cg_exo -32.09 -43.81 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.946 3.097 . . . . 0.0 115.152 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.19 -4.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 29.4 p -115.91 39.74 2.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 117.652 -1.619 . . . . 0.0 112.984 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.673 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -89.11 24.4 2.14 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -148.48 -21.3 0.33 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -166.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.0 -43.47 1.5 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -168.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.37 15.84 42.57 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.429 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -158.71 163.38 36.87 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.359 -0.495 . . . . 0.0 109.922 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.54 ' O ' ' HB ' ' C' ' 24' ' ' THR . 51.9 mt -142.59 119.03 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.18 44.75 15.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.795 1.309 . . . . 0.0 110.805 -170.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.89 16.82 8.28 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 121.836 0.687 . . . . 0.0 112.703 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.75 146.16 45.03 Favored Pre-proline 0 C--N 1.299 -1.591 0 CA-C-N 114.335 -0.933 . . . . 0.0 110.524 -170.384 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.97 125.92 20.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.962 2.441 . . . . 0.0 112.007 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 40.6 t -79.86 136.11 55.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.858 -169.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -31.61 -57.28 0.24 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 125.898 4.399 . . . . 0.0 116.464 -176.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.35 -10.0 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 112.317 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 26.6 p -130.7 94.78 3.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -71.29 53.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.61 5.27 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.395 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.407 ' HD2' ' HG3' ' A' ' 49' ' ' LYS . 16.0 mtmt -113.19 -40.92 3.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.671 . . . . 0.0 109.393 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' C' ' 16' ' ' GLU . . . 120.19 -38.9 2.6 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.338 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.57 164.12 13.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -127.54 161.07 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.732 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.557 HD21 ' NE2' ' A' ' 50' ' ' HIS . 4.5 mp -88.23 165.14 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -170.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' THR . . . . . 0.435 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 71.0 p -106.16 179.58 4.23 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.545 173.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.85 95.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.842 0.746 . . . . 0.0 111.348 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.49 -41.43 94.25 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.3 -33.75 83.39 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.834 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.62 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -69.71 -33.59 72.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.893 -0.181 . . . . 0.0 111.153 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -69.49 -31.17 69.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.357 0.598 . . . . 0.0 110.579 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -87.25 -17.01 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -83.62 -44.69 14.3 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.797 -177.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.96 -21.48 61.59 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.289 0.566 . . . . 0.0 110.059 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -74.39 -42.4 59.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.954 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.646 HG21 HG22 ' A' ' 47' ' ' ILE . 19.4 pt -79.27 -26.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.676 -0.809 . . . . 0.0 110.534 -177.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.54 -60.19 3.78 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.206 0.527 . . . . 0.0 109.595 167.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.573 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 14.1 ttpp -78.99 2.75 19.32 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.021 -0.991 . . . . 0.0 112.837 -166.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.552 ' NE2' HD21 ' B' ' 36' ' ' LEU . 58.9 m80 -117.11 -2.58 11.66 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 118.267 -1.373 . . . . 0.0 114.212 163.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.407 HD21 HG13 ' B' ' 47' ' ' ILE . 3.3 mm? -124.25 -42.49 2.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.836 0.744 . . . . 0.0 111.894 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 52' ' ' ASN . . . . . 0.462 ' HB2' HD12 ' A' ' 51' ' ' LEU . 2.4 m-20 -121.64 -19.23 6.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.163 -167.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.573 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.575 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 121.525 0.678 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.47 137.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.598 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.54 160.73 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.242 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -16.34 60.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.023 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.34 -8.17 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.752 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -103.83 3.69 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.488 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -124.93 -34.32 2.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.224 0.535 . . . . 0.0 110.493 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE2' ' NE2' ' B' ' 50' ' ' HIS . 72.2 mt-10 -134.74 143.47 47.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.793 -177.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.88 140.66 48.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.86 135.32 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.193 0.521 . . . . 0.0 110.59 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -63.11 169.26 3.76 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.277 -170.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.6 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 95.5 Cg_exo -53.05 -33.07 61.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.805 2.337 . . . . 0.0 114.246 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 7.0 tmtm? -150.83 -30.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -165.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 p -116.33 42.67 2.35 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.814 -1.178 . . . . 0.0 114.103 -168.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.86 27.24 1.85 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.203 0.525 . . . . 0.0 109.955 -175.648 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' H ' ' H ' ' A' ' 18' ' ' ALA . 11.6 ptp180 -148.57 -25.09 0.32 Allowed 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -167.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -126.81 -31.94 2.62 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.101 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.41 41.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.057 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 15' ' ' CYS . 4.1 pt-20 -151.15 159.81 44.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.011 0.406 . . . . 0.0 111.447 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.626 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.1 mm -130.2 109.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.52 45.26 10.86 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.172 0.295 . . . . 0.0 111.213 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.49 7.86 11.88 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.563 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -119.32 145.53 38.79 Favored Pre-proline 0 C--N 1.305 -1.351 0 C-N-CA 123.426 0.69 . . . . 0.0 110.168 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -54.85 132.97 55.11 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.089 2.526 . . . . 0.0 111.986 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 52.5 t -84.48 136.94 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.1 Cg_exo -29.13 -52.82 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.111 1 C-N-CA 126.182 4.588 . . . . 0.0 116.021 -177.071 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.15 -6.41 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 111.871 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 30.3 p -132.66 88.79 2.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.233 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -76.61 60.17 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.96 0.409 . . . . 0.0 111.533 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.88 46.05 2.98 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.838 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mppt? -126.2 -36.35 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 109.76 -39.2 2.99 Favored Glycine 0 N--CA 1.434 -1.456 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.18 164.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.028 0.442 . . . . 0.0 111.777 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.1 pt -127.55 162.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.468 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 44' ' ' LEU . 3.0 mp -87.93 157.15 19.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.714 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -107.26 176.15 5.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.562 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.52 70.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG2' HG22 ' C' ' 3' ' ' ILE . 0.8 OUTLIER -54.33 -52.79 60.43 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.81 -27.87 73.13 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.856 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.512 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.0 m-85 -68.82 -34.19 75.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.532 -0.393 . . . . 0.0 110.908 176.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -70.32 -31.53 68.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.443 0.64 . . . . 0.0 110.493 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.9 mp -86.06 -23.11 26.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.094 -174.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD23 HD22 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.73 -40.39 41.33 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.125 -179.317 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.052 0.453 . . . . 0.0 110.49 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.483 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.2 t80 -75.16 -39.0 60.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 175.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.669 HG22 HG21 ' C' ' 47' ' ' ILE . 29.2 pt -78.0 -33.76 18.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.813 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -51.79 -62.21 1.77 Allowed 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.397 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.0 ttmt -77.79 -3.38 41.12 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.831 -161.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.665 ' O ' HD23 ' A' ' 51' ' ' LEU . 90.4 m-70 -117.25 -2.55 11.6 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 117.383 -1.727 . . . . 0.0 113.956 169.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -126.75 -46.76 1.56 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.561 0.619 . . . . 0.0 112.137 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -106.56 -25.25 11.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 14.1 mtmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.257 -0.877 . . . . 0.0 109.795 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.15 137.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.593 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.82 159.41 25.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.859 0.361 . . . . 0.0 110.254 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -63.23 -16.2 59.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.975 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.08 -8.7 59.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -103.34 1.77 33.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.613 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -122.38 -33.7 3.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.321 0.581 . . . . 0.0 110.628 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -134.61 145.87 49.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.749 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.18 141.14 46.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.6 135.99 56.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.716 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -61.33 167.2 4.27 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.644 -171.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.716 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 82.6 Cg_exo -51.64 -31.67 41.55 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.592 2.194 . . . . 0.0 114.342 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.455 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 7.0 tmtm? -151.2 -30.42 0.18 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -164.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 15.5 p -117.34 43.39 2.35 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -168.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.51 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.07 27.32 1.89 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 109.894 -176.278 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' B' ' 18' ' ' ALA . 11.3 ptp180 -148.93 -24.09 0.31 Allowed 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -166.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -128.57 -32.84 2.13 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.965 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.72 23.12 43.66 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.434 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 5.9 pt-20 -149.36 159.61 44.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.109 0.455 . . . . 0.0 111.135 -175.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.572 ' O ' ' HB ' ' B' ' 24' ' ' THR . 29.8 mm -130.42 109.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.11 46.01 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.354 0.409 . . . . 0.0 110.998 -177.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.57 8.9 10.56 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.733 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -119.94 145.37 39.54 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 114.75 -0.725 . . . . 0.0 110.202 -170.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.33 133.36 55.64 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.155 2.57 . . . . 0.0 111.725 -176.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.1 t -84.65 137.48 38.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.3 Cg_exo -29.25 -52.41 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 126.103 4.535 . . . . 0.0 115.942 -177.702 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.82 -3.79 4.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.906 0.384 . . . . 0.0 111.967 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 18.0 p -133.25 90.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.054 0.454 . . . . 0.0 109.888 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -77.35 57.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.417 . . . . 0.0 111.28 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 49.92 2.19 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.909 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -127.89 -36.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.22 -39.24 2.97 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -114.94 164.87 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 111.837 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.02 162.5 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.453 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.542 HD22 HD23 ' B' ' 44' ' ' LEU . 2.9 mp -87.79 157.65 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.89 176.6 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.505 170.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.97 69.5 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -52.3 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.41 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -66.05 -28.07 73.38 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.907 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.516 ' HA ' HD23 ' B' ' 44' ' ' LEU . 13.4 m-85 -68.59 -33.99 75.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.37 -0.488 . . . . 0.0 111.023 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -70.43 -31.77 69.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.355 0.597 . . . . 0.0 110.554 174.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.547 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.0 mp -86.14 -23.04 26.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.542 HD23 HD22 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -77.74 -40.83 39.73 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.138 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.94 -24.04 62.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 64.8 t80 -75.21 -39.62 59.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 175.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.678 HG21 HG22 ' C' ' 47' ' ' ILE . 28.6 pt -77.91 -34.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.666 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -50.91 -62.1 1.81 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.503 0.668 . . . . 0.0 109.52 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.9 ttmt -77.48 -4.37 45.18 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.944 -162.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.672 ' O ' HD23 ' B' ' 51' ' ' LEU . 91.5 m-70 -116.6 -2.71 11.89 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.499 -1.68 . . . . 0.0 113.853 170.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.672 HD23 ' O ' ' B' ' 50' ' ' HIS . 12.6 mt -127.29 -45.77 1.52 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.605 0.639 . . . . 0.0 112.208 174.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.55 -25.21 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.8 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.383 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.581 0.705 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.401 HG22 ' HG2' ' A' ' 39' ' ' GLN . 16.6 tt -149.02 137.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.527 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.0 159.41 24.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -64.97 -14.85 61.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.669 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.69 -7.86 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.816 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.96 3.72 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.716 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.26 -33.41 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.35 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -135.68 144.31 45.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.005 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.89 140.89 47.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.64 135.08 55.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.721 0.295 . . . . 0.0 110.865 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.717 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.4 OUTLIER -59.12 167.58 2.0 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.879 0.872 . . . . 0.0 112.917 -172.216 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.717 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 89.4 Cg_exo -52.64 -32.33 53.98 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.792 2.328 . . . . 0.0 114.089 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 14' ' ' LYS . . . . . 0.439 ' HD2' HD13 ' C' ' 21' ' ' ILE . 6.6 tmtm? -149.14 -33.14 0.21 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -165.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 23.2 p -116.53 44.78 1.94 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -167.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.549 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.4 26.33 2.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.26 0.553 . . . . 0.0 110.01 -176.703 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.439 ' H ' ' H ' ' C' ' 18' ' ' ALA . 11.7 ptp180 -148.06 -21.98 0.35 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -165.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.439 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -130.64 -32.39 1.7 Allowed 'General case' 0 C--N 1.343 0.283 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.108 -176.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.3 20.9 50.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.447 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 4.0 pt-20 -147.36 158.46 43.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.215 0.507 . . . . 0.0 111.148 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.629 ' O ' ' HB ' ' C' ' 24' ' ' THR . 29.2 mm -129.81 110.0 18.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.62 46.15 15.03 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.145 0.278 . . . . 0.0 110.864 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.85 9.54 10.63 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.807 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -119.64 145.22 38.64 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.661 -0.77 . . . . 0.0 110.094 -170.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.62 132.34 50.88 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.774 2.316 . . . . 0.0 111.658 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.9 t -82.72 138.14 43.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 51.6 Cg_exo -30.01 -53.46 0.2 Allowed 'Trans proline' 0 C--N 1.358 1.078 1 C-N-CA 125.959 4.439 . . . . 0.0 115.907 -178.216 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.64 -2.94 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -169.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 16.8 p -133.7 91.05 2.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.985 0.421 . . . . 0.0 109.918 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -76.79 58.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.66 47.44 2.73 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.947 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -125.8 -37.08 2.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 110.9 -39.32 2.94 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' C' ' 11' ' ' ALA . 34.0 m -114.37 164.63 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.063 0.459 . . . . 0.0 111.723 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 18.0 pt -128.09 162.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.456 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.539 HD22 HD23 ' C' ' 44' ' ' LEU . 2.9 mp -87.71 157.36 19.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.699 0.761 . . . . 0.0 112.918 -172.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -108.05 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.493 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.76 -44.9 70.38 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.24 -52.61 60.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' GLY . . . . . 0.423 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -66.0 -27.87 73.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.975 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.515 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.1 m-85 -68.71 -33.91 74.74 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.433 -0.451 . . . . 0.0 110.863 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 11.8 m -70.32 -31.88 69.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.512 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.559 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.9 mp -86.01 -23.01 27.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.18 -174.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.539 HD23 HD22 ' C' ' 36' ' ' LEU . 1.0 OUTLIER -77.91 -40.49 39.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.076 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.07 -24.24 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.463 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 64.5 t80 -75.25 -38.98 60.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.717 175.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.678 HG22 HG21 ' B' ' 47' ' ' ILE . 28.9 pt -78.18 -34.05 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.771 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -51.13 -62.36 1.66 Allowed 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.331 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.513 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 30.4 ttmt -77.13 -4.81 46.4 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.658 -161.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.694 ' O ' HD23 ' C' ' 51' ' ' LEU . 93.6 m-70 -116.55 -2.82 11.9 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 117.547 -1.661 . . . . 0.0 114.009 171.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.694 HD23 ' O ' ' C' ' 50' ' ' HIS . 12.2 mt -127.19 -45.72 1.53 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.552 0.615 . . . . 0.0 112.332 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.77 -24.2 11.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.0 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.104 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -148.04 142.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.526 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.29 161.46 21.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.875 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -65.66 -15.02 62.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.077 0.465 . . . . 0.0 110.837 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.02 -5.27 58.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -102.12 -5.37 24.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.92 -26.33 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.083 0.468 . . . . 0.0 110.561 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -137.69 146.43 43.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -128.67 139.33 52.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.298 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.86 133.95 54.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.89 0.376 . . . . 0.0 110.778 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.82 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 11.2 t -64.85 157.08 77.08 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 45.5 Cg_exo -38.82 -35.3 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.611 2.874 . . . . 0.0 114.851 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -146.55 -29.77 0.38 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -167.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.9 p -119.33 46.91 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -167.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.08 24.74 2.71 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -173.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.81 -17.98 0.31 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.27 -42.08 2.93 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.647 -171.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.16 10.09 57.58 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.072 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 5.5 pt-20 -151.06 164.43 36.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 110.352 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 24' ' ' THR . 19.9 mt -143.62 124.27 9.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 173.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.55 45.75 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.574 0.546 . . . . 0.0 110.473 -172.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 59.46 8.28 6.85 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.14 -0.552 . . . . 0.0 114.183 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -119.81 153.76 54.84 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 117.694 0.747 . . . . 0.0 111.393 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 17.3 Cg_endo -54.32 122.83 12.2 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.21 2.607 . . . . 0.0 111.18 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 47.1 t -75.82 140.71 71.08 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.468 -168.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.2 Cg_exo -26.23 -52.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 1 C-N-CA 126.327 4.685 . . . . 0.0 116.691 -177.348 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.75 -3.5 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.319 0.58 . . . . 0.0 112.147 -169.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.8 p -131.57 89.75 2.75 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -73.08 54.04 0.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.13 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.466 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 91.75 50.58 2.67 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.314 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -126.53 -38.96 2.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.32 2.8 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.4 163.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.224 0.535 . . . . 0.0 112.273 -175.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 pt -125.44 157.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.214 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD22 HD23 ' A' ' 44' ' ' LEU . 4.5 mp -88.38 159.27 18.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.441 0.639 . . . . 0.0 112.502 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.32 176.08 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.226 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.21 63.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -58.37 -47.07 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 111.215 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.1 -27.58 73.5 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.779 -0.725 . . . . 0.0 111.718 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.537 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.8 m-85 -70.43 -33.01 70.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.939 -0.154 . . . . 0.0 111.358 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -70.25 -33.86 72.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.366 0.603 . . . . 0.0 110.628 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.23 -16.14 38.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.73 -175.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.64 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.45 -41.58 16.47 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.551 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.91 -24.97 63.46 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.198 0.523 . . . . 0.0 110.514 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.07 -41.08 59.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.162 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.622 HG22 HG21 ' C' ' 47' ' ' ILE . 22.7 pt -80.46 -28.85 11.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.683 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 80.7 mm-40 -56.56 -59.03 5.58 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 121.261 0.553 . . . . 0.0 110.047 168.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 12.5 ttpt -77.42 0.9 20.78 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.542 -166.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -117.94 -1.44 11.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.401 -1.32 . . . . 0.0 113.797 165.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 47' ' ' ILE . 3.4 mm? -125.56 -37.5 2.34 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.394 0.543 . . . . 0.0 112.396 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HB2' HD12 ' B' ' 51' ' ' LEU . 2.3 m-20 -128.08 -20.4 3.79 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -168.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.6 mtmt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.253 -0.88 . . . . 0.0 109.174 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.705 0.764 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -147.32 141.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.6 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.33 22.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.704 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -64.85 -13.86 57.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.233 0.54 . . . . 0.0 110.968 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.18 -5.87 58.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.807 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -102.71 -4.86 24.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.944 0.402 . . . . 0.0 110.938 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.22 -26.58 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.696 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -137.53 146.0 43.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.993 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.04 139.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.196 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.21 135.02 55.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.861 0.362 . . . . 0.0 110.779 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.842 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 t -66.72 155.64 88.8 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.842 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.0 Cg_exo -36.85 -35.82 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.725 2.95 . . . . 0.0 115.156 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -146.77 -29.46 0.38 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 14.2 p -118.18 46.96 1.68 Allowed 'General case' 0 C--O 1.243 0.721 0 O-C-N 120.683 -1.26 . . . . 0.0 114.387 -169.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.607 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.98 24.36 2.46 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.828 0.346 . . . . 0.0 110.766 -174.747 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.406 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.34 -21.26 0.33 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -114.89 -40.51 3.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.384 -171.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.424 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 93.3 11.61 58.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.112 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.7 pt-20 -150.71 165.09 34.51 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 120.999 0.428 . . . . 0.0 110.172 -175.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.533 ' O ' HG22 ' B' ' 24' ' ' THR . 24.6 mt -145.37 123.45 4.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 46.42 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.735 0.647 . . . . 0.0 110.773 -171.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.32 12.9 6.48 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.137 0.415 . . . . 0.0 114.137 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.5 OUTLIER -122.88 152.53 62.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.23 0.515 . . . . 0.0 111.465 -173.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.439 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 17.1 Cg_endo -54.7 118.71 5.4 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.21 2.607 . . . . 0.0 111.444 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 45.2 t -73.54 140.77 79.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.573 -169.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.519 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.6 Cg_exo -25.1 -57.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.079 1 C-N-CA 126.387 4.725 . . . . 0.0 116.321 -177.041 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.42 -4.31 5.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.152 0.501 . . . . 0.0 111.739 -168.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 29.4 p -130.96 89.93 2.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -73.35 55.64 0.47 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.104 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.424 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 92.18 46.71 3.51 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.71 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -123.91 -37.94 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 114.44 -39.24 2.87 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.03 163.07 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 112.171 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.9 157.25 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.262 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.507 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -88.42 159.73 17.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 112.65 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -106.62 175.44 5.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.352 172.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.74 63.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -174.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -58.81 -46.39 87.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.319 . . . . 0.0 111.408 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.56 73.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.481 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.551 ' HA ' HD23 ' B' ' 44' ' ' LEU . 7.3 m-85 -70.23 -33.69 71.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.039 -0.094 . . . . 0.0 111.157 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -69.98 -33.59 72.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.392 0.615 . . . . 0.0 110.643 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.35 -16.66 36.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.601 -175.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -84.16 -41.9 16.55 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.413 -179.421 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.93 -24.67 63.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.145 0.497 . . . . 0.0 110.514 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -75.31 -41.09 57.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.604 HG21 HG22 ' C' ' 47' ' ' ILE . 22.8 pt -80.38 -28.84 12.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.615 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.9 mm-40 -56.49 -58.99 5.65 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.333 0.587 . . . . 0.0 110.038 168.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 12.1 ttpt -77.64 0.95 21.29 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.593 -166.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -117.82 -1.41 11.55 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.347 -1.341 . . . . 0.0 113.854 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.4 mm? -125.18 -37.28 2.42 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.398 0.545 . . . . 0.0 112.286 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' C' ' 51' ' ' LEU . 2.4 m-20 -128.97 -20.01 3.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -167.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.542 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.2 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.466 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 121.672 0.749 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -145.89 141.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.578 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.89 161.01 22.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.636 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -64.89 -14.2 58.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 110.825 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.93 -6.52 59.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -101.36 -5.43 25.39 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.781 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.22 -26.25 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 110.66 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -137.71 146.81 44.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.959 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -128.73 139.45 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.317 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.568 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.81 134.15 54.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.91 0.386 . . . . 0.0 110.755 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.864 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 6.2 t -66.29 157.18 82.77 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -169.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.864 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -37.84 -38.3 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.648 2.899 . . . . 0.0 114.635 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -144.45 -29.82 0.47 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -166.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 9.3 p -117.51 46.85 1.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.568 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 24.76 2.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.758 0.313 . . . . 0.0 111.087 -175.251 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.45 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -148.42 -22.37 0.33 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -174.857 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.45 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -113.69 -39.19 4.09 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.908 -171.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.17 12.89 61.11 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.586 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.76 162.87 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.57 HD12 ' SG ' ' C' ' 26' ' ' CYS . 24.5 mt -145.94 125.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.84 43.87 30.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.677 0.611 . . . . 0.0 110.822 -172.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.98 7.68 7.06 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.116 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.51 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.6 OUTLIER -119.89 152.94 54.61 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 117.339 0.569 . . . . 0.0 110.854 -175.042 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 16.0 Cg_endo -54.56 123.49 13.79 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.225 2.617 . . . . 0.0 111.385 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.621 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 46.5 t -78.37 140.64 60.69 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.7 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.621 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 67.6 Cg_exo -25.82 -54.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 126.534 4.822 . . . . 0.0 116.647 -175.466 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.03 -4.3 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.903 -168.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 22.2 p -130.91 90.55 2.91 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -74.19 54.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 112.124 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 92.83 46.97 3.27 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.569 174.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -124.09 -38.76 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.93 -39.06 2.9 Favored Glycine 0 N--CA 1.435 -1.417 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.63 163.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 0.0 112.183 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.84 157.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.364 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.51 HD22 HD23 ' C' ' 44' ' ' LEU . 4.6 mp -88.57 158.71 18.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.591 0.71 . . . . 0.0 112.67 -170.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.4 174.91 5.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.182 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.93 62.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -58.51 -46.41 86.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.369 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.11 -27.58 73.65 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.594 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.543 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.1 m-85 -70.37 -32.6 70.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.883 -0.187 . . . . 0.0 111.279 175.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 10.4 m -70.48 -33.84 71.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.377 0.608 . . . . 0.0 110.703 172.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.26 -16.6 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.496 -179.372 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.0 -25.27 63.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.108 0.48 . . . . 0.0 110.548 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.99 -40.79 60.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.12 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.622 HG21 HG22 ' A' ' 47' ' ' ILE . 23.6 pt -80.55 -29.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.661 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.8 mm-40 -56.43 -59.21 5.3 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.356 0.598 . . . . 0.0 109.996 168.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 12.1 ttpt -77.44 1.01 20.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.357 -167.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -118.02 -1.47 11.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 118.388 -1.325 . . . . 0.0 113.975 165.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.448 HD23 ' O ' ' C' ' 47' ' ' ILE . 3.4 mm? -125.43 -36.85 2.42 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.358 0.526 . . . . 0.0 112.366 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 52' ' ' ASN . . . . . 0.432 ' HB2' HD12 ' A' ' 51' ' ' LEU . 2.6 m-20 -128.83 -20.54 3.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -167.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.549 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 12.9 mtmt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.057 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.491 0.663 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 8' ' ' LEU . 18.9 tt -128.7 135.5 62.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.262 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 155.8 37.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.149 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -65.41 -9.04 21.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.901 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.36 -13.41 59.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.43 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -105.18 3.65 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 75.3 mt -119.32 -29.61 5.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.994 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -143.2 145.79 33.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.933 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.55 146.45 31.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.705 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.647 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.64 135.84 56.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.215 0.531 . . . . 0.0 111.464 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.595 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -64.57 172.59 2.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -170.701 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 39.3 Cg_exo -41.3 -46.7 5.6 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 123.621 2.881 . . . . 0.0 113.74 170.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.2 0.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 -174.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.656 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 11.4 p -114.67 37.75 3.33 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 117.893 -1.523 . . . . 0.0 114.229 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.647 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.35 22.23 3.48 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.186 0.517 . . . . 0.0 110.214 -178.263 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 -11.3 0.42 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.01 -33.81 1.13 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.667 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 82.48 23.15 57.18 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.972 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -146.17 163.4 35.5 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.59 0.71 . . . . 0.0 110.799 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' A' ' 24' ' ' THR . 34.1 mm -128.62 108.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 171.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 60.28 47.4 9.15 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.228 0.33 . . . . 0.0 111.085 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.45 9.21 29.83 Favored Glycine 0 N--CA 1.468 0.805 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.665 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -123.29 145.58 46.88 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.378 -0.911 . . . . 0.0 110.52 -169.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.14 131.54 43.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.906 2.404 . . . . 0.0 112.154 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.6 t -81.41 135.0 50.57 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -171.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -32.64 -58.75 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.892 4.395 . . . . 0.0 116.059 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.86 -11.39 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.412 -167.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 17.9 p -129.41 90.98 3.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 m -74.39 54.15 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.958 -0.464 . . . . 0.0 112.11 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 94.43 46.86 2.91 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.75 176.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -117.05 -42.23 2.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.79 -38.28 3.3 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 11' ' ' ALA . 31.1 m -117.24 165.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.888 0.375 . . . . 0.0 111.545 -176.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.595 HG23 ' SG ' ' A' ' 12' ' ' CYS . 3.3 pt -124.28 160.38 28.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.953 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 HD23 ' A' ' 44' ' ' LEU . 4.0 mp -86.28 167.72 14.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 113.137 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.0 p -104.44 179.98 4.11 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.115 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.04 99.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.462 0.574 . . . . 0.0 110.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.34 -42.43 98.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.504 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.43 69.84 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.595 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.622 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.1 m-85 -69.65 -33.78 73.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.6 m -69.3 -32.06 70.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.537 0.684 . . . . 0.0 109.693 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.73 -22.06 26.23 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -80.61 -44.16 19.38 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.313 -177.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.71 -23.51 60.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.75 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' C' ' 8' ' ' LEU . 66.1 t80 -75.14 -38.81 60.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.358 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.585 HG21 HG22 ' B' ' 47' ' ' ILE . 20.3 pt -79.29 -29.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.353 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 58.7 mm-40 -56.4 -56.99 14.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.982 169.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 24.1 ttmm -78.34 1.08 23.06 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -167.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.414 ' NE2' HD21 ' C' ' 36' ' ' LEU . 69.8 m80 -116.56 -1.95 12.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 118.224 -1.39 . . . . 0.0 114.232 167.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.433 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -120.45 -39.67 2.75 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.442 0.639 . . . . 0.0 111.114 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -29.86 3.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.46 -166.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.557 ' HE2' ' HB3' ' A' ' 48' ' ' GLN . 7.2 mtmm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.964 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.796 0.808 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.41 HD11 HD11 ' B' ' 8' ' ' LEU . 18.7 tt -127.47 135.4 63.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.382 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.63 156.46 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.116 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.4 -7.3 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.928 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.52 -14.19 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.24 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -105.16 3.99 30.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.5 . . . . 0.0 110.188 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.41 HD11 HD11 ' B' ' 3' ' ' ILE . 75.3 mt -120.35 -30.15 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -143.18 145.26 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.918 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.31 146.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.612 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.11 135.93 56.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.242 0.544 . . . . 0.0 111.536 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.614 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.8 OUTLIER -63.39 173.09 1.31 Allowed Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -170.759 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -41.15 -48.04 5.06 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 113.451 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 -0.03 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.7 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -113.75 38.65 2.89 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.167 -1.413 . . . . 0.0 114.303 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.612 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.82 22.65 3.48 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.432 -179.065 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -8.33 0.48 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.78 -35.48 0.87 Allowed 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.344 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.02 59.18 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.218 -0.992 . . . . 0.0 113.073 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -143.13 164.32 30.47 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.426 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.2 mm -129.61 109.52 18.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.008 171.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 58.85 49.0 10.41 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.43 0.456 . . . . 0.0 110.833 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.19 12.4 37.55 Favored Glycine 0 N--CA 1.466 0.654 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.466 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -127.97 144.74 52.57 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 114.304 -0.948 . . . . 0.0 111.1 -169.6 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.88 132.55 50.47 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.676 2.251 . . . . 0.0 111.808 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.6 t -82.74 135.18 46.12 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.745 -171.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -33.15 -59.7 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.772 1 C-N-CA 125.555 4.17 . . . . 0.0 115.992 -178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.71 -11.16 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.392 -167.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 14.6 p -129.25 90.71 3.06 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -74.74 54.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.882 -0.511 . . . . 0.0 112.014 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.05 2.53 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.629 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -119.1 -43.26 2.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.8 -38.5 3.16 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' B' ' 11' ' ' ALA . 31.1 m -117.3 165.4 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.814 0.34 . . . . 0.0 111.647 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.614 HG23 ' SG ' ' B' ' 12' ' ' CYS . 3.4 pt -124.49 159.98 29.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.026 175.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.438 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -86.3 167.14 15.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.828 0.823 . . . . 0.0 113.122 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -104.06 -179.75 4.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.269 -1.332 . . . . 0.0 107.936 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.06 99.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 118.465 0.575 . . . . 0.0 110.425 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.8 -42.91 98.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.58 -31.61 70.88 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.781 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.621 ' HA ' HD23 ' B' ' 44' ' ' LEU . 3.0 m-85 -69.66 -33.88 73.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 19.3 m -69.37 -31.78 70.4 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.575 0.703 . . . . 0.0 109.654 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.97 -21.69 26.03 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.827 -174.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.04 -44.55 17.88 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.31 -177.557 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.56 -23.55 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.564 -176.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 66.6 t80 -74.89 -39.01 61.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.585 HG22 HG21 ' A' ' 47' ' ' ILE . 21.1 pt -79.19 -29.06 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.434 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.574 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 57.8 mm-40 -56.64 -57.36 12.72 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 169.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.604 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 23.3 ttmm -78.8 1.91 21.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -167.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.439 ' NE2' HD21 ' A' ' 36' ' ' LEU . 69.0 m80 -116.51 -1.27 12.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 118.323 -1.351 . . . . 0.0 114.067 165.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.44 -37.43 2.91 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.524 0.602 . . . . 0.0 111.428 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASN . . . . . 0.411 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -128.45 -25.81 2.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.676 -166.73 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.604 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.576 0.703 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.427 HD11 HD11 ' C' ' 8' ' ' LEU . 18.9 tt -124.19 135.13 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.479 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.16 154.61 39.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.194 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -64.8 -9.47 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.013 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.85 -12.22 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.403 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.99 3.31 30.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.115 0.483 . . . . 0.0 110.252 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 76.2 mt -119.79 -29.97 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -142.94 145.2 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.055 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.38 147.56 31.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.08 133.71 52.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.14 0.495 . . . . 0.0 111.853 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.807 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -61.5 172.08 1.13 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.766 1.227 . . . . 0.0 113.757 -171.122 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.807 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 39.2 Cg_exo -40.8 -46.32 4.83 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 123.916 3.077 . . . . 0.0 114.503 170.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.77 0.4 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.727 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 8.3 p -115.51 40.18 2.79 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 120.745 -1.222 . . . . 0.0 113.84 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.652 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.56 22.38 3.5 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.242 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.88 -8.61 0.47 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.18 -33.33 1.02 Allowed 'General case' 0 C--N 1.348 0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.51 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.43 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 82.62 19.3 64.11 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.983 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.727 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.3 OUTLIER -142.62 163.71 32.09 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.568 0.699 . . . . 0.0 110.909 -178.588 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.449 ' O ' ' HB ' ' C' ' 24' ' ' THR . 30.5 mm -128.79 109.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 59.47 49.07 9.05 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.261 0.351 . . . . 0.0 110.943 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.33 12.57 32.51 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.636 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 0.9 OUTLIER -128.53 145.95 58.04 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 114.309 -0.946 . . . . 0.0 111.267 -169.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -58.22 130.74 39.31 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.701 2.268 . . . . 0.0 112.248 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 46.5 t -80.2 133.89 56.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.477 -171.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -32.57 -60.24 0.2 Allowed 'Trans proline' 0 CA--C 1.539 0.734 1 C-N-CA 125.334 4.023 . . . . 0.0 115.963 -178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.17 -12.02 12.57 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 111.721 -166.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 14.6 p -129.78 93.13 3.45 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.3 m -74.47 54.11 0.57 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.034 0.445 . . . . 0.0 112.163 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.98 47.07 2.73 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.842 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -116.7 -42.16 3.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.21 -38.86 3.05 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' C' ' 11' ' ' ALA . 30.7 m -116.81 165.0 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.742 0.306 . . . . 0.0 111.488 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.63 159.87 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.882 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.426 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -86.17 168.02 14.37 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 37.1 p -104.24 179.79 4.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.259 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.28 99.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.436 0.562 . . . . 0.0 110.406 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -60.79 -42.3 97.32 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.392 174.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.15 -31.47 69.2 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.803 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.623 ' HA ' HD23 ' C' ' 44' ' ' LEU . 3.1 m-85 -69.98 -32.62 70.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 19.2 m -69.99 -32.32 70.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.509 0.671 . . . . 0.0 109.805 173.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.4 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.5 mp -86.76 -22.31 26.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.919 -174.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -80.21 -44.52 19.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.392 -177.729 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.7 -23.58 60.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.686 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' B' ' 8' ' ' LEU . 65.8 t80 -75.33 -38.77 60.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.34 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.582 HG21 HG22 ' A' ' 47' ' ' ILE . 21.4 pt -79.09 -29.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.419 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.553 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 58.8 mm-40 -56.16 -57.54 11.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.853 168.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 23.9 ttmm -78.65 1.86 21.4 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.419 ' NE2' HD21 ' B' ' 36' ' ' LEU . 70.5 m80 -116.46 -2.05 12.12 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.027 -1.469 . . . . 0.0 113.811 166.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.448 HD21 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -120.65 -41.58 2.57 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.186 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.48 -25.5 4.04 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.424 -166.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.4 mtmm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.136 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.412 HG12 ' OE1' ' B' ' 39' ' ' GLN . 9.9 p . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 122.172 0.986 . . . . 0.0 108.866 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.33 133.64 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.42 149.68 44.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -61.2 -20.1 62.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.677 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -82.31 -3.49 55.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -102.85 -17.5 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 111.07 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -113.41 -12.22 13.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 0.0 110.272 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -135.19 136.79 42.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.75 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.66 147.42 32.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.689 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.26 134.06 53.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.035 0.445 . . . . 0.0 110.91 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.932 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 t -67.74 162.31 58.95 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 124.184 0.994 . . . . 0.0 111.774 -171.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.932 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 24.2 Cg_exo -34.94 -42.79 0.36 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.773 2.982 . . . . 0.0 114.85 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.56 -3.3 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -171.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 8.1 p -119.35 44.11 2.44 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.309 -1.356 . . . . 0.0 113.968 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.689 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -89.14 20.54 3.64 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.625 0.25 . . . . 0.0 111.261 -175.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.87 -13.58 0.27 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -174.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.42 -52.42 2.77 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -168.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 12.93 39.88 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.409 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.5 pt-20 -164.82 171.8 13.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 24' ' ' THR . 48.1 mt -140.15 124.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 170.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 53.47 43.49 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.667 0.605 . . . . 0.0 111.23 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 66.4 5.92 31.45 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.287 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -124.83 159.31 59.17 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 117.569 0.685 . . . . 0.0 111.237 -176.83 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.61 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.4 Cg_endo -56.63 134.03 61.78 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.051 2.501 . . . . 0.0 112.117 176.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.86 133.59 43.21 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.772 -172.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -28.22 -57.62 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 126.215 4.61 . . . . 0.0 116.242 -176.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.1 -12.51 12.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.827 0.676 . . . . 0.0 112.827 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 19.8 p -127.58 -1.61 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.383 -0.927 . . . . 0.0 113.047 -176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t 64.34 -64.88 0.14 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.57 30.16 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -167.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 47.0 mtmt -100.87 -28.12 12.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.247 0.546 . . . . 0.0 109.76 -176.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.27 -39.76 2.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.492 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.81 165.23 11.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 122.525 -0.397 . . . . 0.0 111.486 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 29' ' ' CYS . 22.2 pt -127.01 159.46 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 175.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 44' ' ' LEU . 5.1 mp -87.83 164.87 15.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.654 0.74 . . . . 0.0 112.627 -174.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.403 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 69.8 p -105.07 173.91 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.058 173.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.07 77.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.537 0.608 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' OE1' HG12 ' C' ' 2' ' ' VAL . 50.6 tp60 -50.27 -53.75 26.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.658 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.48 -30.36 77.66 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.469 -0.787 . . . . 0.0 113.227 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.5 m-85 -70.51 -32.2 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.052 0.426 . . . . 0.0 111.583 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.3 m -69.54 -30.65 68.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 0.0 110.036 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -87.14 -13.91 42.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.574 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.86 -43.21 14.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.033 178.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.59 -23.2 62.53 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.32 0.581 . . . . 0.0 110.309 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.14 -43.06 58.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.321 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.639 HG21 HG22 ' B' ' 47' ' ' ILE . 17.9 pt -79.23 -28.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.983 -176.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 20.2 mm-40 -55.46 -55.47 31.41 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.679 168.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.02 -6.24 51.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.904 -165.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.45 ' CE1' HD21 ' C' ' 36' ' ' LEU . 20.3 m80 -116.46 -1.57 12.22 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.494 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -118.32 -49.58 2.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.69 0.757 . . . . 0.0 110.521 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -113.08 -30.28 7.04 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.484 -167.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.527 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 122.177 0.989 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.09 134.37 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.016 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.15 148.98 46.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.178 0.513 . . . . 0.0 110.038 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -60.53 -20.33 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.545 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -82.52 -3.23 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.4 -173.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -103.68 -16.76 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.88 -12.48 13.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.542 . . . . 0.0 110.3 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -135.27 136.66 41.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.785 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.93 146.93 33.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.692 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.5 133.11 51.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 0.0 110.897 -177.235 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.953 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 8.5 t -65.4 163.26 34.24 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.831 0.852 . . . . 0.0 112.166 -171.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.953 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 27.4 Cg_exo -35.93 -43.17 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.516 2.81 . . . . 0.0 114.912 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.49 -3.96 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.484 ' O ' ' HA2' ' B' ' 33' ' ' GLY . 7.6 p -118.48 43.96 2.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 117.85 -1.54 . . . . 0.0 113.638 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.692 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.33 19.95 4.1 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 122.197 -0.314 . . . . 0.0 111.527 -175.609 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.7 -13.07 0.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.78 -52.46 2.76 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -167.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.02 12.74 41.93 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.128 -1.034 . . . . 0.0 112.34 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.8 pt-20 -165.39 171.78 13.01 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.669 ' O ' HG22 ' B' ' 24' ' ' THR . 44.8 mt -141.12 125.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 53.28 43.07 31.96 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.713 0.633 . . . . 0.0 111.0 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.46 7.16 31.93 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.558 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.669 HG22 ' O ' ' B' ' 21' ' ' ILE . 1.2 t -125.24 157.85 65.93 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 117.451 0.626 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.571 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.3 Cg_endo -55.72 134.96 67.14 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.689 2.259 . . . . 0.0 111.746 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 9.9 t -86.79 134.09 38.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.015 -172.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -27.12 -59.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 126.068 4.512 . . . . 0.0 116.339 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.9 -12.87 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -166.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' B' ' 35' ' ' ILE . 21.4 p -126.81 -1.88 6.62 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.443 -0.903 . . . . 0.0 113.066 -176.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t 64.51 -65.07 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.643 0.589 . . . . 0.0 112.486 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.97 35.17 0.04 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 47.5 mtmt -105.13 -29.3 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.41 0.624 . . . . 0.0 109.981 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.18 -39.78 2.76 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.543 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -115.07 164.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.913 0.387 . . . . 0.0 111.254 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' B' ' 29' ' ' CYS . 21.0 pt -126.74 159.76 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.45 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.493 HD22 HD23 ' B' ' 44' ' ' LEU . 5.2 mp -87.61 165.52 15.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.515 0.674 . . . . 0.0 112.472 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -105.36 173.94 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.168 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -46.21 76.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.457 0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . 0.412 ' OE1' HG12 ' A' ' 2' ' ' VAL . 48.0 tp60 -50.29 -53.34 29.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.723 172.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.19 77.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.26 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' B' ' 44' ' ' LEU . 5.0 m-85 -70.55 -32.61 70.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.992 0.396 . . . . 0.0 111.552 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -69.15 -31.12 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.9 -13.6 44.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.437 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -85.02 -43.38 14.0 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.047 178.867 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.71 -22.97 62.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.3 0.572 . . . . 0.0 110.303 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.08 -43.3 58.2 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.325 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' ILE . 17.7 pt -79.34 -28.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.879 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 19.9 mm-40 -55.4 -55.83 27.11 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 27.8 ttmt -77.31 -5.51 49.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.047 -165.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.451 ' CE1' HD21 ' A' ' 36' ' ' LEU . 20.3 m80 -116.51 -2.0 12.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 118.067 -1.453 . . . . 0.0 113.381 171.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.6 mm? -117.78 -51.12 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.782 0.801 . . . . 0.0 110.421 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.9 -28.54 8.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.48 -167.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.5 mtmt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.719 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 2' ' ' VAL . . . . . 0.473 HG12 ' OE1' ' A' ' 39' ' ' GLN . 9.9 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 122.239 1.019 . . . . 0.0 108.932 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 tt -140.38 133.88 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.733 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.85 150.92 45.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.068 0.461 . . . . 0.0 110.042 177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -61.9 -20.2 63.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.533 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.15 -4.16 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.35 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.24 -15.35 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.916 0.388 . . . . 0.0 110.972 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.6 -11.9 12.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.274 0.559 . . . . 0.0 110.421 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -135.75 137.29 41.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.786 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.46 146.55 33.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.35 133.45 52.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.07 0.462 . . . . 0.0 110.774 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.944 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 9.0 t -66.32 162.78 45.41 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 124.24 1.016 . . . . 0.0 111.808 -170.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.944 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 23.5 Cg_exo -35.06 -43.36 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.83 3.02 . . . . 0.0 114.851 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 14' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' C' ' 21' ' ' ILE . 0.0 OUTLIER -161.08 -4.1 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.459 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 14.4 p -118.18 43.32 2.48 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 117.845 -1.542 . . . . 0.0 114.179 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.66 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -88.82 20.16 3.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.694 0.283 . . . . 0.0 111.165 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -14.7 0.33 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -174.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.77 -52.67 2.74 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 13.05 39.48 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.543 -172.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -164.54 172.69 12.93 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.799 0.44 . . . . 0.0 109.942 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.576 ' O ' HG22 ' C' ' 24' ' ' THR . 45.3 mt -141.9 125.46 15.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 53.42 43.24 31.61 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.71 0.631 . . . . 0.0 111.067 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.21 11.4 39.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.412 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.589 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.8 OUTLIER -128.28 157.63 73.84 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 117.435 0.618 . . . . 0.0 111.26 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 25' ' ' PRO . . . . . 0.589 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 19.2 Cg_endo -56.56 133.67 59.48 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.06 2.507 . . . . 0.0 112.067 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.87 134.38 41.68 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -28.37 -59.3 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.774 1 C-N-CA 126.119 4.546 . . . . 0.0 116.19 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.42 -12.97 13.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -166.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.402 ' HB3' ' CG2' ' C' ' 35' ' ' ILE . 20.7 p -127.08 -2.4 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.357 -0.937 . . . . 0.0 113.054 -176.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 42.6 t 64.29 -65.19 0.13 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.21 31.43 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -168.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.416 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 46.4 mtmt -101.97 -28.97 12.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.377 0.608 . . . . 0.0 109.891 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.5 -39.84 2.75 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.458 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.04 164.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.9 0.381 . . . . 0.0 111.587 -176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 22.0 pt -127.14 159.36 37.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.505 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.488 HD22 HD23 ' C' ' 44' ' ' LEU . 5.2 mp -87.64 165.43 15.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.52 0.676 . . . . 0.0 112.499 -173.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' THR . . . . . 0.405 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 74.6 p -105.24 174.52 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.154 173.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.43 80.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.627 0.649 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -50.41 -53.54 28.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.34 77.68 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.235 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.557 ' HA ' HD23 ' C' ' 44' ' ' LEU . 5.3 m-85 -70.53 -32.49 69.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.031 0.415 . . . . 0.0 111.601 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 56.3 m -69.31 -31.02 69.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.492 0.663 . . . . 0.0 109.981 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -87.01 -13.5 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.509 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -85.11 -43.33 13.97 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.001 179.014 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.78 -23.29 62.36 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.182 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -73.96 -43.0 59.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.315 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.625 HG21 HG22 ' A' ' 47' ' ' ILE . 17.6 pt -79.26 -27.83 13.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.959 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 20.3 mm-40 -55.77 -55.39 32.98 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.667 168.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.448 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 27.4 ttmt -77.49 -5.33 49.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.903 -165.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.459 ' CE1' HD21 ' B' ' 36' ' ' LEU . 20.5 m80 -116.79 -1.92 11.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.14 -1.424 . . . . 0.0 113.627 171.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.435 HD23 ' O ' ' C' ' 47' ' ' ILE . 3.6 mm? -117.96 -47.33 2.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.777 0.799 . . . . 0.0 110.726 173.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -30.06 6.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.405 -167.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.445 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 19.6 mtmt . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.858 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.235 1.017 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 tt -138.44 131.93 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.218 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.26 150.22 42.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.196 0.522 . . . . 0.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -63.92 -17.91 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.296 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.94 -4.45 56.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.128 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.33 -15.84 15.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.207 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.51 -16.77 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' OE2' ' NE2' ' B' ' 50' ' ' HIS . 96.7 mt-10 -133.12 135.68 45.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.123 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.76 142.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.535 ' HB1' ' CB ' ' A' ' 16' ' ' GLU . . . -63.66 135.21 56.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -59.56 166.88 2.81 Favored Pre-proline 0 N--CA 1.455 -0.204 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -170.608 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -46.67 -34.51 15.52 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.066 2.511 . . . . 0.0 113.824 172.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CE ' HG23 ' A' ' 21' ' ' ILE . 58.5 tttp -154.49 -24.93 0.12 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 5.7 p -117.9 45.14 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -172.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.711 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.9 26.61 1.77 Allowed 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -172.219 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -15.67 0.35 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.13 -31.14 5.12 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.829 -176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.02 12.79 65.36 Favored Glycine 0 C--O 1.218 -0.899 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.35 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.664 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 6.3 mm-40 -162.45 169.18 20.82 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' THR . 25.8 mt -135.46 122.79 35.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 56.48 44.29 24.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.108 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.92 5.34 39.06 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.382 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -120.77 141.4 32.36 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 114.366 -0.917 . . . . 0.0 111.343 -169.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.664 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -57.01 128.33 29.45 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.778 2.318 . . . . 0.0 111.744 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 44.3 t -80.45 139.09 51.48 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.074 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.0 Cg_exo -31.39 -58.05 0.21 Allowed 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 125.838 4.359 . . . . 0.0 115.964 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.01 -5.75 6.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.759 -165.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.3 p -129.17 87.11 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -73.58 52.61 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 0.0 112.051 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 99.79 52.72 1.17 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.916 174.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' B' ' 49' ' ' LYS . 28.2 mtmm -127.99 -41.53 1.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 117.136 0.468 . . . . 0.0 109.853 175.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.711 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.37 -38.6 3.18 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.2 167.39 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.21 0.528 . . . . 0.0 111.649 -175.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.499 HG23 ' SG ' ' A' ' 12' ' ' CYS . 6.6 pt -127.41 160.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.836 172.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD22 HD23 ' A' ' 44' ' ' LEU . 4.5 mp -86.94 165.08 16.15 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.355 0.598 . . . . 0.0 112.383 -172.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.1 p -105.2 174.44 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.52 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.48 0.582 . . . . 0.0 111.958 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.33 -44.58 95.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.694 0.283 . . . . 0.0 110.803 175.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.52 -29.93 73.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.0 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.2 m-85 -68.82 -35.08 76.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.605 0.24 . . . . 0.0 111.094 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 m -70.26 -31.85 69.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.376 0.608 . . . . 0.0 110.325 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.6 mp -87.06 -13.04 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.098 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.673 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -90.65 -43.3 10.25 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.038 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.61 -19.14 62.16 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.505 -0.747 . . . . 0.0 109.79 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -75.13 -43.76 50.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.362 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.74 HD13 HD21 ' B' ' 51' ' ' LEU . 1.5 pp -80.47 -22.34 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 118.724 -1.19 . . . . 0.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.1 mm-40 -57.84 -60.35 3.84 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 166.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 28.9 ttmt -77.3 -0.69 26.44 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.512 -166.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.41 ' NE2' ' OE2' ' C' ' 9' ' ' GLU . 75.5 m-70 -118.49 -2.25 11.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 118.37 -1.332 . . . . 0.0 113.912 166.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD21 HD13 ' C' ' 47' ' ' ILE . 2.6 mm? -125.01 -55.27 1.59 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.34 0.518 . . . . 0.0 111.243 174.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.47 -12.43 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -167.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 2.3 mtmm . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 122.301 1.048 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -139.44 131.63 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.338 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.55 148.81 44.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.095 0.474 . . . . 0.0 110.191 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -62.85 -17.94 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.385 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.01 -4.57 57.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -103.69 -15.53 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.415 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -112.58 -15.71 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.409 ' OE2' ' NE2' ' C' ' 50' ' ' HIS . 96.7 mt-10 -133.9 135.29 43.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.211 176.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.23 142.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' B' ' 16' ' ' GLU . . . -64.05 134.22 54.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.004 0.43 . . . . 0.0 110.371 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.66 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.94 165.57 4.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -170.397 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.66 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 61.9 Cg_exo -44.88 -35.21 9.58 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.171 2.581 . . . . 0.0 114.169 174.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -154.72 -25.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -165.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 20.5 p -117.31 44.62 2.07 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -171.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.704 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.98 26.18 2.2 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -170.304 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -13.54 0.43 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.3 -34.15 3.92 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.879 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.429 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.89 10.99 59.43 Favored Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.735 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.623 ' OE1' ' HA ' ' B' ' 25' ' ' PRO . 6.5 mm-40 -163.69 170.49 16.97 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -172.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' B' ' 24' ' ' THR . 27.0 mt -137.52 122.69 24.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -174.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 57.93 43.2 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.739 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.57 5.33 29.54 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.08 140.21 29.54 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 114.182 -1.009 . . . . 0.0 110.967 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.623 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 18.3 Cg_endo -56.51 127.26 25.2 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.935 2.423 . . . . 0.0 112.394 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 53.2 t -80.94 137.89 49.95 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 69.7 Cg_exo -31.29 -56.66 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 125.916 4.411 . . . . 0.0 116.313 -178.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.52 -6.3 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.5 . . . . 0.0 111.83 -166.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.1 p -129.97 86.68 2.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -74.3 54.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.154 0.502 . . . . 0.0 111.946 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 100.3 50.32 1.34 Allowed Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.179 173.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' C' ' 49' ' ' LYS . 28.8 mtmm -125.97 -39.82 2.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.425 0.613 . . . . 0.0 110.044 175.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.704 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.33 -38.81 3.12 Favored Glycine 0 N--CA 1.437 -1.273 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.0 m -115.0 167.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.058 0.456 . . . . 0.0 111.705 -175.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.3 pt -127.3 160.49 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.718 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.427 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -86.84 165.5 15.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.508 0.67 . . . . 0.0 112.543 -172.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.6 p -105.29 174.33 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.31 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.02 74.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.505 0.593 . . . . 0.0 111.791 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.21 -43.92 95.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 174.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.22 -30.22 71.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.964 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.582 ' HA ' HD23 ' B' ' 44' ' ' LEU . 12.9 m-85 -68.9 -34.2 75.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.571 0.224 . . . . 0.0 111.114 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -70.79 -31.88 68.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.397 0.617 . . . . 0.0 110.335 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 47' ' ' ILE . 4.7 mp -86.92 -13.62 44.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.09 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -90.28 -43.39 10.4 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 120.644 -0.423 . . . . 0.0 109.957 -177.068 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.73 -18.73 62.12 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -75.29 -44.0 48.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.449 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.746 HD13 HD21 ' C' ' 51' ' ' LEU . 1.6 pp -80.46 -22.57 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.104 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -57.28 -60.98 2.81 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.635 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 28.3 ttmt -77.45 -0.28 25.38 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.479 -166.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.411 ' NE2' ' OE2' ' A' ' 9' ' ' GLU . 74.4 m-70 -118.08 -1.91 11.33 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 118.538 -1.265 . . . . 0.0 114.023 165.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.74 HD21 HD13 ' A' ' 47' ' ' ILE . 2.6 mm? -125.6 -56.05 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.402 0.546 . . . . 0.0 111.117 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -109.7 -11.33 14.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -167.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.635 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 2.5 mtmm . . . . . 0 C--O 1.246 0.918 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 122.281 1.039 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.03 131.94 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.408 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.77 149.15 44.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.166 0.508 . . . . 0.0 110.389 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -62.48 -17.9 60.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.402 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.67 -5.36 58.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -103.15 -15.83 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.52 -16.58 12.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.053 0.454 . . . . 0.0 110.813 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLU . . . . . 0.41 ' OE2' ' NE2' ' A' ' 50' ' ' HIS . 96.4 mt-10 -133.25 134.09 43.52 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.368 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.15 142.45 43.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' C' ' 16' ' ' GLU . . . -64.07 133.96 54.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.034 0.445 . . . . 0.0 110.375 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.639 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -58.9 166.89 2.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -170.687 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.639 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 76.0 Cg_exo -47.37 -33.61 17.2 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.051 2.501 . . . . 0.0 114.021 173.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' LYS . . . . . 0.402 ' CE ' HG23 ' C' ' 21' ' ' ILE . 58.8 tttp -154.84 -25.26 0.12 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -166.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 6.7 p -117.55 45.42 1.93 Allowed 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.695 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.07 27.02 1.7 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.139 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.9 -15.37 0.36 Allowed 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.99 -33.92 4.58 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.871 -177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.26 10.52 60.79 Favored Glycine 0 C--O 1.217 -0.953 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.518 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.64 ' OE1' ' HA ' ' C' ' 25' ' ' PRO . 6.6 mm-40 -162.83 169.49 19.76 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.568 ' O ' ' HB ' ' C' ' 24' ' ' THR . 21.2 mt -136.78 123.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 120.747 0.308 . . . . 0.0 110.394 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 55.62 46.46 22.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.975 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.93 11.25 50.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.122 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.568 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.6 m -126.87 139.74 35.78 Favored Pre-proline 0 C--N 1.303 -1.417 0 CA-C-N 114.066 -1.067 . . . . 0.0 111.494 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' PRO . . . . . 0.64 ' HA ' ' OE1' ' C' ' 20' ' ' GLU . 19.1 Cg_endo -56.98 126.43 22.19 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.958 2.438 . . . . 0.0 111.846 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 54.0 t -79.99 139.06 53.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.465 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 70.0 Cg_exo -30.79 -58.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 1 C-N-CA 125.996 4.464 . . . . 0.0 116.137 -179.443 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.6 -6.55 6.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.199 0.524 . . . . 0.0 111.696 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.2 p -128.99 85.54 2.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -74.1 54.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.091 0.472 . . . . 0.0 111.758 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.45 52.76 1.19 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.797 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 49' ' ' LYS . 29.7 mtmm -128.19 -41.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.286 0.543 . . . . 0.0 109.924 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.695 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.52 -38.83 3.08 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -176.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.5 m -114.91 167.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.034 0.445 . . . . 0.0 111.583 -175.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 pt -127.44 160.12 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.811 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.404 HD22 HD23 ' C' ' 44' ' ' LEU . 4.5 mp -86.73 165.13 16.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.301 0.572 . . . . 0.0 112.216 -172.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -105.2 175.67 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.599 0.636 . . . . 0.0 111.793 -176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.77 -43.51 97.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.628 0.252 . . . . 0.0 110.734 174.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.23 72.02 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.906 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.585 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.7 m-85 -68.89 -34.92 76.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.501 0.191 . . . . 0.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -70.24 -31.54 68.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 0.0 110.248 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.588 ' O ' HG13 ' C' ' 47' ' ' ILE . 4.5 mp -87.17 -12.82 45.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.029 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.3 OUTLIER -91.18 -43.05 10.1 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.046 -177.055 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.56 -19.27 62.18 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.526 -0.734 . . . . 0.0 109.718 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -75.18 -43.77 50.28 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.324 173.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.758 HD13 HD21 ' A' ' 51' ' ' LEU . 1.5 pp -80.32 -22.44 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.158 -178.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 75.2 mm-40 -57.5 -61.06 2.77 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 166.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.3 ttmt -77.47 -0.3 25.52 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.485 -166.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.409 ' NE2' ' OE2' ' B' ' 9' ' ' GLU . 73.0 m-70 -118.13 -1.75 11.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 118.658 -1.217 . . . . 0.0 113.82 166.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.746 HD21 HD13 ' B' ' 47' ' ' ILE . 2.6 mm? -125.49 -57.95 1.45 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.325 0.511 . . . . 0.0 110.817 174.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -108.1 -12.09 15.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -167.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.595 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 1.8 mtmm . . . . . 0 C--O 1.246 0.875 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 CA--C 1.531 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -123.73 138.76 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 -175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.15 160.49 23.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.504 173.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -66.47 -13.1 60.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.083 0.468 . . . . 0.0 110.763 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.67 -4.12 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.97 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -101.62 -7.36 22.78 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 110.646 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -114.71 -20.26 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.456 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -146.16 143.71 29.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.04 148.98 31.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.013 -174.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.54 131.07 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.153 0.502 . . . . 0.0 111.15 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.795 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 t -67.51 156.94 87.45 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.795 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 44.4 Cg_exo -36.65 -37.77 0.31 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 123.747 2.965 . . . . 0.0 115.101 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -144.05 -30.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 26.5 p -117.97 44.22 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -165.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.65 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.06 24.77 2.69 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.333 -177.791 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.78 -7.56 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -173.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.26 -40.21 0.82 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.967 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.77 15.47 56.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.643 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -152.83 162.52 41.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.399 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.571 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.8 mt -140.29 121.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 58.19 43.17 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.867 0.73 . . . . 0.0 111.027 -174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.2 11.58 9.66 Favored Glycine 0 CA--C 1.504 -0.601 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.809 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.571 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.72 144.93 36.5 Favored Pre-proline 0 C--N 1.305 -1.34 0 CA-C-N 114.978 -0.611 . . . . 0.0 111.199 -170.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.45 126.33 22.14 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.981 2.454 . . . . 0.0 111.122 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 35.1 t -82.03 140.44 46.36 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.711 -166.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 78.5 Cg_exo -30.31 -58.23 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.22 1 C-N-CA 125.997 4.464 . . . . 0.0 116.145 -177.514 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.74 -4.69 7.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.668 -168.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 13.8 p -132.35 95.25 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -77.51 53.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.029 0.442 . . . . 0.0 111.456 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.06 41.77 3.69 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.273 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -111.36 -43.12 3.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.38 0.61 . . . . 0.0 109.401 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.67 -38.71 2.92 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -174.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.47 163.8 11.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 0.0 112.094 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 pt -123.51 161.1 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.062 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 44' ' ' LEU . 3.7 mp -88.02 158.2 18.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.523 0.677 . . . . 0.0 112.386 -173.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -106.6 175.67 5.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.499 -1.228 . . . . 0.0 107.889 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.65 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -57.81 -43.55 85.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.12 0.486 . . . . 0.0 110.507 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.25 -29.33 73.19 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.934 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.597 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -70.01 -33.31 71.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.537 0.208 . . . . 0.0 111.188 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -70.63 -32.06 69.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.692 175.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.08 -15.8 40.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.023 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -83.39 -41.6 17.97 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.997 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.12 -25.33 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.524 . . . . 0.0 110.705 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 68.9 t80 -74.81 -40.66 60.96 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.953 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.647 HG21 HG22 ' B' ' 47' ' ' ILE . 19.2 pt -80.09 -27.38 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.773 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.8 mm-40 -55.3 -60.24 3.67 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 11.2 ttpp -78.88 2.02 21.51 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.594 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.472 ' CE1' HD21 ' C' ' 36' ' ' LEU . 70.8 m-70 -116.88 -2.13 11.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 117.842 -1.543 . . . . 0.0 114.569 164.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.4 mm? -122.19 -50.63 2.01 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.562 0.619 . . . . 0.0 111.11 174.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.417 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.567 -168.664 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.7 mtmt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.393 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 121.006 0.431 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -123.7 139.18 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 159.8 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -64.0 -14.88 57.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.153 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -83.51 -4.15 58.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -101.88 -4.39 26.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.99 0.424 . . . . 0.0 110.587 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 94.4 mt -116.88 -20.6 9.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.147 0.499 . . . . 0.0 110.24 177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -145.88 145.74 30.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.52 149.53 29.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.667 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.05 130.53 45.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.248 0.547 . . . . 0.0 111.283 -176.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.833 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 38.8 t -65.84 157.04 81.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.084 0.954 . . . . 0.0 112.427 -169.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.833 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -37.24 -39.41 0.57 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.586 2.857 . . . . 0.0 114.831 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -142.6 -29.92 0.55 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -166.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 17.3 p -116.97 46.08 1.74 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -168.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.667 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 24.84 2.47 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 120.903 0.383 . . . . 0.0 109.995 -177.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.59 -14.37 0.44 Allowed 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -171.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.01 -41.66 1.78 Allowed 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.302 -0.863 . . . . 0.0 113.205 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.0 15.15 55.01 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.671 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.3 pt-20 -153.57 164.83 37.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.053 0.454 . . . . 0.0 110.258 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.575 ' O ' ' HB ' ' B' ' 24' ' ' THR . 21.9 mt -143.41 121.17 6.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 57.45 43.7 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.935 0.772 . . . . 0.0 110.619 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 12.84 8.93 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.692 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.575 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.98 143.1 36.05 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.677 -0.762 . . . . 0.0 110.803 -167.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.46 121.44 9.94 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.147 2.565 . . . . 0.0 111.598 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.8 t -76.58 139.38 67.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.19 -0.913 . . . . 0.0 113.191 -168.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 71.4 Cg_exo -28.62 -59.41 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 126.155 4.57 . . . . 0.0 116.266 -178.469 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.02 -9.37 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.363 0.602 . . . . 0.0 111.661 -167.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 28.7 p -131.02 96.08 3.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.3 t -79.65 53.85 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 111.219 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.68 3.05 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.843 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 34' ' ' VAL . 46.7 mtmt -113.68 -44.06 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.07 -39.03 2.79 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -173.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.425 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 28.7 m -113.94 163.43 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 112.076 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.6 pt -123.75 160.42 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.809 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' B' ' 44' ' ' LEU . 3.7 mp -87.58 157.87 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.543 0.687 . . . . 0.0 112.527 -173.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -107.06 173.51 6.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.038 170.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.87 70.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -58.84 -43.71 90.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 110.667 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.06 -29.1 73.26 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.55 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -70.37 -33.03 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.78 -0.247 . . . . 0.0 111.37 177.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -70.5 -31.64 68.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.245 0.545 . . . . 0.0 110.726 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.08 -17.87 33.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -82.07 -40.88 21.34 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.136 178.7 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.03 -25.59 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.311 0.576 . . . . 0.0 110.69 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 69.0 t80 -74.81 -41.11 60.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 176.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.647 HG22 HG21 ' A' ' 47' ' ' ILE . 18.9 pt -79.99 -27.3 12.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.747 -177.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.6 mm-40 -55.16 -60.43 3.39 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 166.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.605 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 11.9 ttpp -78.97 1.74 22.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.666 -166.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.459 ' CE1' HD21 ' A' ' 36' ' ' LEU . 71.6 m-70 -116.49 -1.65 12.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.011 -1.475 . . . . 0.0 114.421 164.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.4 mm? -122.59 -52.91 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.625 0.648 . . . . 0.0 110.979 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -110.42 -18.24 13.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.573 -168.368 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.605 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.6 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.403 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.39 138.92 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.35 160.63 23.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -65.57 -13.94 60.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.014 0.435 . . . . 0.0 111.063 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.34 -4.25 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.826 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -103.05 -3.29 26.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.0 mt -117.06 -20.44 9.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 0.0 110.259 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -145.71 145.83 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.425 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -134.27 148.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.201 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.657 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.42 130.71 45.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 0.0 111.173 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.869 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 12.4 t -67.82 157.42 86.57 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.869 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.5 Cg_exo -36.2 -39.92 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.824 3.016 . . . . 0.0 114.646 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -142.79 -28.74 0.57 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 4.8 p -115.74 43.84 2.02 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.657 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.8 24.17 2.83 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.002 0.43 . . . . 0.0 110.374 -177.635 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 -11.98 0.45 Allowed 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.48 -40.26 1.43 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.381 -0.827 . . . . 0.0 113.157 -172.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.95 57.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.422 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.7 pt-20 -152.27 165.58 34.45 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.11 -177.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.566 HD12 ' SG ' ' C' ' 26' ' ' CYS . 16.4 mt -143.77 122.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 173.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 58.13 42.95 21.42 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.889 0.743 . . . . 0.0 110.79 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.55 15.81 9.41 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.632 -176.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.556 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -122.52 144.18 41.6 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.26 -169.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.26 122.04 11.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.23 2.62 . . . . 0.0 111.484 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' C' ' 21' ' ' ILE . 43.9 t -80.49 139.17 51.38 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.974 -167.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.555 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 84.3 Cg_exo -28.73 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.076 1 C-N-CA 126.157 4.572 . . . . 0.0 116.449 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.75 -7.27 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.372 0.606 . . . . 0.0 111.671 -168.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 14.4 p -131.01 94.44 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 27.2 t -77.78 54.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.34 45.3 3.04 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.954 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.422 ' HE3' ' O ' ' C' ' 34' ' ' VAL . 49.1 mtmt -113.47 -44.87 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.54 -38.86 2.81 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -173.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.422 ' O ' ' HE3' ' C' ' 32' ' ' LYS . 27.7 m -114.14 163.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 0.0 112.069 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.6 160.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.912 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.571 HD22 HD23 ' C' ' 44' ' ' LEU . 3.7 mp -87.69 158.04 18.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.586 0.708 . . . . 0.0 112.493 -173.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.8 173.73 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.104 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.66 70.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -57.14 -46.1 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.727 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -28.44 73.75 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.224 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -70.09 -33.47 71.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.752 -0.263 . . . . 0.0 111.092 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -70.22 -31.54 69.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.213 0.53 . . . . 0.0 110.853 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.03 -17.45 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 -177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.29 -40.78 21.02 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.123 178.786 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.35 -25.48 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 0.0 110.799 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 69.3 t80 -74.76 -41.0 60.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.026 176.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.86 -27.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.803 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.1 -60.34 3.52 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 166.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.608 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 11.6 ttpp -79.18 1.89 22.93 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.629 -166.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.444 ' CE1' HD21 ' B' ' 36' ' ' LEU . 72.4 m-70 -116.62 -2.39 11.96 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.844 -1.542 . . . . 0.0 114.428 164.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.4 mm? -122.11 -51.5 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.479 0.657 . . . . 0.0 111.022 174.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 52' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -111.44 -18.83 12.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.67 -168.663 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.608 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.0 mtmt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.826 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.481 0.658 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.85 136.83 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.38 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.6 172.49 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 175.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 m -62.26 -24.95 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.265 0.555 . . . . 0.0 110.733 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.25 -3.67 55.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.444 -172.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.69 0.1 35.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 110.589 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 87.5 mt -125.2 -28.74 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -142.96 147.24 34.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.306 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -127.57 140.15 49.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.571 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -65.23 137.48 57.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 111.164 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -59.46 169.72 1.25 Allowed Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.545 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -48.34 -37.6 32.62 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.985 2.457 . . . . 0.0 113.75 173.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.41 -13.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -167.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 23.0 p -117.16 43.31 2.34 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 119.051 0.841 . . . . 0.0 112.965 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -92.3 29.23 1.72 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.158 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.455 ' H ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -148.46 -18.52 0.33 Allowed 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -174.465 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -132.73 -29.42 1.51 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.489 -175.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.46 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 80.86 26.43 53.52 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 120.599 -0.81 . . . . 0.0 114.273 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 5.7 pt-20 -138.54 159.89 40.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.564 0.697 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.554 ' O ' ' HB ' ' A' ' 24' ' ' THR . 47.9 mm -127.31 109.17 19.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.186 169.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 61.76 46.72 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.422 0.451 . . . . 0.0 111.372 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.58 -1.47 14.47 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.496 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.9 m -118.62 147.47 42.14 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 115.267 -0.466 . . . . 0.0 111.738 -168.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -55.15 125.43 19.15 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.295 2.664 . . . . 0.0 112.254 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 52.0 t -74.15 137.98 75.59 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -171.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -29.95 -54.26 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 126.327 4.685 . . . . 0.0 116.212 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.77 -9.64 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.748 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 26.8 p -132.05 98.79 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.786 0.326 . . . . 0.0 110.149 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.76 58.57 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.152 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 90.94 45.58 4.15 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.412 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 12.9 mtpp -123.5 -39.96 2.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -171.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.21 -40.01 2.69 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.6 m -123.49 167.88 16.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 122.332 -0.511 . . . . 0.0 112.053 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.4 pt -130.61 163.95 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.357 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD22 HD23 ' A' ' 44' ' ' LEU . 3.6 mp -87.95 159.29 18.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -172.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -106.74 176.8 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.046 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.34 -46.53 69.55 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -57.73 -44.12 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.56 -29.7 72.93 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.845 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.4 m-85 -68.87 -33.12 73.27 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.856 -0.202 . . . . 0.0 111.201 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 m -71.94 -33.5 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.398 0.618 . . . . 0.0 110.486 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.46 -17.3 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.792 -174.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.39 -45.44 16.1 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.98 -20.46 61.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 110.541 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.186 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.606 ' O ' HD11 ' B' ' 51' ' ' LEU . 2.7 pp -78.24 -27.13 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.239 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HA ' HD21 ' B' ' 51' ' ' LEU . 39.3 mm-40 -52.28 -59.92 3.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.752 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 18.1 ttmm -79.36 1.96 23.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.375 -166.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.742 ' O ' HD23 ' A' ' 51' ' ' LEU . 78.6 m-70 -115.49 -3.77 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 116.131 -2.228 . . . . 0.0 114.917 169.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 50' ' ' HIS . 20.7 mt -126.69 -37.21 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.073 0.851 . . . . 0.0 111.77 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -105.89 -33.46 7.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.366 0.603 . . . . 0.0 111.208 -172.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.752 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.0 mtmt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.765 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 121.421 0.629 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -134.92 137.22 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.273 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.18 171.43 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -60.67 -23.34 64.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 111.107 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.91 -5.8 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -172.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.01 1.07 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 110.842 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.403 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 88.2 mt -126.03 -27.76 3.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.125 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -142.79 148.86 37.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.31 140.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.511 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.56 137.22 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.252 0.548 . . . . 0.0 111.213 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.02 169.72 1.06 Allowed Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -173.702 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.667 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 70.4 Cg_exo -48.13 -36.87 29.69 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.228 2.619 . . . . 0.0 114.243 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.4 -13.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -167.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 18.2 p -117.19 44.06 2.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.831 1.196 . . . . 0.0 113.211 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.66 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.46 28.79 1.61 Allowed 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -177.625 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.03 -18.45 0.35 Allowed 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -174.315 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -132.68 -27.51 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.064 -176.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.476 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 80.65 24.57 58.22 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.34 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.2 pt-20 -137.73 160.34 39.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.369 0.604 . . . . 0.0 110.49 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' B' ' 24' ' ' THR . 46.5 mm -128.21 110.44 21.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 114.635 -1.166 . . . . 0.0 108.227 170.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 61.16 45.28 9.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.522 0.514 . . . . 0.0 111.197 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.7 0.13 23.43 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.891 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.515 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.7 m -120.51 146.21 42.57 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-N 114.913 -0.644 . . . . 0.0 110.752 -167.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' B' ' 24' ' ' THR . 17.9 Cg_endo -54.47 126.38 22.1 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.801 2.334 . . . . 0.0 112.599 -178.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.1 t -74.41 136.34 75.18 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.252 -172.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -29.74 -53.04 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.061 1 C-N-CA 126.593 4.862 . . . . 0.0 116.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.26 -8.59 7.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.75 -167.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.494 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 30.4 p -133.39 98.35 4.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.163 0.506 . . . . 0.0 110.023 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -77.55 58.35 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.092 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.476 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 90.2 48.27 3.6 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.09 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 13.4 mtpp -125.81 -39.98 2.08 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.655 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.1 -40.49 2.53 Favored Glycine 0 N--CA 1.431 -1.661 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.6 m -123.25 168.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.176 0.513 . . . . 0.0 112.109 -174.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 pt -131.46 163.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.273 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.541 HD22 HD23 ' B' ' 44' ' ' LEU . 3.6 mp -87.63 159.54 18.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.73 176.87 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.121 169.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.57 69.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.57 -44.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.568 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -68.16 -29.4 73.32 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.908 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.573 ' HA ' HD23 ' B' ' 44' ' ' LEU . 12.6 m-85 -68.85 -33.6 74.09 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.802 -0.234 . . . . 0.0 111.112 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -71.57 -33.38 69.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.452 0.644 . . . . 0.0 110.578 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.44 -16.87 35.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.803 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -81.74 -44.98 16.31 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.211 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.25 -22.0 61.3 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 110.502 -175.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.414 ' HZ ' ' O ' ' A' ' 40' ' ' GLY . 64.3 t80 -74.08 -43.59 57.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.128 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.592 ' O ' HD11 ' C' ' 51' ' ' LEU . 2.7 pp -78.45 -26.76 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.252 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.508 ' HA ' HD21 ' C' ' 51' ' ' LEU . 40.3 mm-40 -52.66 -59.85 3.97 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 166.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.773 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 17.1 ttmm -79.34 1.72 24.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.349 -166.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.748 ' O ' HD23 ' B' ' 51' ' ' LEU . 77.7 m-70 -115.52 -3.11 12.39 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 115.993 -2.283 . . . . 0.0 115.225 169.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 50' ' ' HIS . 21.6 mt -127.35 -36.57 2.1 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.054 0.843 . . . . 0.0 111.831 168.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.05 -33.51 7.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.164 0.507 . . . . 0.0 111.185 -172.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.773 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.423 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.05 136.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.271 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.28 170.7 9.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.456 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.8 m -59.06 -24.0 62.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.099 0.476 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.65 -6.03 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -172.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.29 -0.31 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.705 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.28 -28.36 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.293 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -142.89 147.72 35.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.237 0.541 . . . . 0.0 110.384 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.91 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.473 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.622 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.18 137.77 57.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.076 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.88 168.54 1.42 Allowed Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -47.37 -38.12 26.22 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.201 2.6 . . . . 0.0 113.723 173.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.89 -10.96 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.608 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 17.7 p -114.92 41.13 2.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 118.388 -1.325 . . . . 0.0 114.041 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.08 28.78 1.52 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -176.238 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.434 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -147.7 -19.59 0.37 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -176.098 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -131.81 -27.22 1.91 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.309 -174.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.463 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 79.67 25.8 57.77 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.41 -0.9 . . . . 0.0 114.034 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.8 pt-20 -137.86 161.49 36.48 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.449 0.643 . . . . 0.0 110.645 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.568 ' O ' ' HB ' ' C' ' 24' ' ' THR . 47.9 mm -129.03 110.29 20.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.222 169.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.44 46.85 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.622 0.576 . . . . 0.0 111.411 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.26 1.26 26.71 Favored Glycine 0 CA--C 1.51 -0.241 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.553 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.568 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 2.0 m -121.86 146.82 46.98 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.596 -0.802 . . . . 0.0 111.158 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' C' ' 24' ' ' THR . 19.3 Cg_endo -54.77 130.82 42.52 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.807 2.338 . . . . 0.0 111.77 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.6 t -79.86 138.47 53.79 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.373 -171.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 63.7 Cg_exo -29.74 -53.54 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.193 1 C-N-CA 125.748 4.299 . . . . 0.0 116.114 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.73 -8.08 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.684 -167.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.608 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 19.9 p -132.14 94.77 3.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -77.42 57.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.939 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.463 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 90.21 51.44 2.77 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 14.8 mtpp -127.45 -41.17 1.74 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -173.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.646 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.49 -40.1 2.64 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.7 m -123.97 168.78 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.129 0.49 . . . . 0.0 112.253 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.59 164.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.403 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.545 HD22 HD23 ' C' ' 44' ' ' LEU . 3.6 mp -88.0 160.05 18.04 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.93 176.43 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.115 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.61 -47.15 67.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -57.29 -44.28 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 -29.54 72.62 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.928 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.8 m-85 -68.96 -33.22 73.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.839 -0.212 . . . . 0.0 111.11 177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 16.6 m -71.99 -33.35 68.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.445 0.64 . . . . 0.0 110.642 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.24 -17.02 35.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.774 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -81.67 -45.33 15.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.199 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.01 -20.58 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.574 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.417 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 64.4 t80 -74.37 -43.66 55.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.126 173.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.608 ' O ' HD11 ' A' ' 51' ' ' LEU . 2.7 pp -78.31 -26.86 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.321 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.513 ' HA ' HD21 ' A' ' 51' ' ' LEU . 40.7 mm-40 -52.71 -59.62 4.25 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 166.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.75 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 17.5 ttmm -79.4 1.63 24.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.492 -166.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.755 ' O ' HD23 ' C' ' 51' ' ' LEU . 79.1 m-70 -115.42 -3.06 12.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 115.995 -2.282 . . . . 0.0 114.911 169.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.755 HD23 ' O ' ' C' ' 50' ' ' HIS . 21.9 mt -127.37 -37.5 2.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.085 0.857 . . . . 0.0 111.814 168.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -106.17 -31.21 8.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.181 0.515 . . . . 0.0 111.462 -171.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.75 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 10.6 mtmt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.998 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 121.684 0.754 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -143.19 140.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.731 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.07 165.44 14.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -67.15 -13.53 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.502 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.58 -5.55 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.428 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -101.6 4.11 40.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.23 0.538 . . . . 0.0 109.999 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 96.0 mt -125.98 -30.9 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.846 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -149.0 153.04 37.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.686 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.05 148.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.06 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.8 131.69 47.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.941 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.8 t -60.19 161.3 13.48 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.342 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.941 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 67.6 Cg_exo -44.03 -36.41 8.45 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.063 2.509 . . . . 0.0 114.271 172.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -147.19 -36.76 0.22 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -163.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.603 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 p -113.73 46.55 1.28 Allowed 'General case' 0 C--O 1.249 1.036 0 C-N-CA 117.828 -1.549 . . . . 0.0 114.209 -169.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.72 27.63 1.28 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -147.84 -28.64 0.34 Allowed 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -164.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.45 -37.17 3.55 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.476 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 92.3 19.51 38.54 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.946 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -170.42 171.17 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.1 mt -140.03 124.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 49.75 47.88 22.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.122 0.889 . . . . 0.0 111.23 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.51 6.84 51.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.686 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 151.3 65.12 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.19 129.12 32.6 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 123.17 2.58 . . . . 0.0 111.599 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 39.2 t -86.21 141.49 35.03 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.509 -170.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 72.0 Cg_exo -26.39 -59.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.056 1 C-N-CA 126.47 4.78 . . . . 0.0 116.385 -177.764 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.71 -2.29 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.48 0.657 . . . . 0.0 111.615 -167.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.603 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.2 p -131.08 88.33 2.59 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -76.14 57.66 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.291 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 93.43 41.14 4.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.504 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -117.58 -43.73 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.627 0.727 . . . . 0.0 109.431 -177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.36 -39.4 2.9 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -113.13 164.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 112.09 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.6 pt -123.66 158.14 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.901 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' NE2' ' B' ' 50' ' ' HIS . 1.5 mt -86.57 150.6 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.95 172.73 6.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.469 -1.241 . . . . 0.0 108.196 168.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.65 66.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.98 -44.49 91.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.28 -29.72 73.3 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.599 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.9 m-85 -68.85 -36.21 77.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.419 0.152 . . . . 0.0 111.129 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 m -69.98 -34.03 72.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.274 0.559 . . . . 0.0 111.251 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.6 mp -86.02 -15.96 39.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.984 -175.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -83.91 -39.48 19.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.255 -179.48 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.33 -27.28 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.792 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 74.8 t80 -75.49 -37.58 60.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.672 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.66 HG22 HG21 ' C' ' 47' ' ' ILE . 25.7 pt -78.27 -35.34 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.524 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 18.7 mm-40 -50.72 -60.75 2.73 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.337 0.589 . . . . 0.0 109.567 171.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 25.5 ttpt -77.14 1.34 18.55 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.048 -166.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.733 ' O ' HD23 ' A' ' 51' ' ' LEU . 72.1 m-70 -115.11 -9.0 12.38 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 117.372 -1.731 . . . . 0.0 114.803 166.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 50' ' ' HIS . 33.9 mt -132.95 -24.05 1.94 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.706 1.139 . . . . 0.0 113.096 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -126.7 -22.09 3.96 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.046 0.45 . . . . 0.0 111.923 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.74 0.781 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.89 139.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.592 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.86 166.13 13.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -67.11 -12.88 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.508 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 -6.46 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.28 3.56 40.89 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.088 0.47 . . . . 0.0 110.337 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.459 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.1 mt -125.13 -31.16 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.732 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -149.15 153.39 37.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.702 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.69 147.57 28.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.238 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.84 134.91 55.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 111.075 -177.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.682 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -64.06 163.06 25.87 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 113.621 -170.365 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.682 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 68.0 Cg_exo -47.09 -36.08 20.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.354 2.702 . . . . 0.0 114.268 174.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -149.52 -30.87 0.23 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -164.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 26.1 p -116.53 43.36 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -169.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.11 27.18 1.68 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -176.34 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -148.43 -28.07 0.31 Allowed 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -162.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.23 -36.65 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.127 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.498 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 91.34 21.47 34.92 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.695 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.48 172.25 6.1 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 123.06 0.544 . . . . 0.0 109.556 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ILE . . . . . 0.419 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 14.7 mt -141.9 123.71 13.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 48.79 51.27 16.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.623 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.66 13.93 59.62 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.749 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.32 148.06 68.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.785 -172.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.84 129.11 32.83 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.303 2.669 . . . . 0.0 111.753 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 41.4 t -85.7 140.4 35.64 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.863 -169.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.432 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 88.8 Cg_exo -26.57 -58.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 1 C-N-CA 126.428 4.752 . . . . 0.0 116.91 -177.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.35 -2.32 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.388 0.613 . . . . 0.0 111.312 -167.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 28.4 p -130.76 89.74 2.8 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -78.59 57.98 2.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.092 0.472 . . . . 0.0 111.699 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 92.63 41.57 4.71 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.396 176.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -117.01 -43.84 2.84 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.86 -39.61 2.84 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -175.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' B' ' 11' ' ' ALA . 27.0 m -112.73 165.3 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 112.123 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.584 HG23 ' SG ' ' B' ' 12' ' ' CYS . 12.3 pt -123.66 158.07 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.459 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.509 HD21 ' NE2' ' C' ' 50' ' ' HIS . 1.6 mt -86.36 149.53 24.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.152 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -107.22 171.76 7.2 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.421 169.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.44 63.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.28 -45.86 87.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.02 -27.19 73.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.797 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.522 ' HA ' HD23 ' B' ' 44' ' ' LEU . 14.1 m-85 -68.64 -33.88 74.77 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.778 -0.248 . . . . 0.0 110.657 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.302 0.572 . . . . 0.0 110.689 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.52 ' O ' HG23 ' B' ' 47' ' ' ILE . 5.6 mp -85.67 -19.12 31.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.283 -175.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 41' ' ' TYR . 1.3 pp -81.62 -38.53 25.85 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.738 -0.601 . . . . 0.0 110.646 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.31 -28.25 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 77.7 t80 -75.17 -37.0 61.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.723 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.66 HG21 HG22 ' C' ' 47' ' ' ILE . 25.1 pt -78.56 -36.26 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.674 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 21.1 mm-40 -49.7 -60.99 2.38 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 121.361 0.601 . . . . 0.0 109.714 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.625 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 24.7 ttpt -77.0 1.17 18.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.17 -166.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.762 ' O ' HD23 ' B' ' 51' ' ' LEU . 62.1 m-70 -115.57 -8.14 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 117.373 -1.731 . . . . 0.0 114.781 167.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.762 HD23 ' O ' ' B' ' 50' ' ' HIS . 34.3 mt -133.9 -21.95 1.87 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.719 1.145 . . . . 0.0 113.07 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.94 -24.61 3.45 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.071 0.462 . . . . 0.0 111.797 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.625 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 3.3 mtmm . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 121.743 0.782 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -141.36 139.63 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 168.91 10.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -69.72 -13.18 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.183 0.516 . . . . 0.0 110.478 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.52 -5.77 58.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.303 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -101.66 5.1 41.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.151 0.5 . . . . 0.0 110.077 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 96.0 mt -127.16 -31.44 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -148.85 154.45 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.623 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.34 146.54 28.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.378 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.74 134.55 54.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.052 0.453 . . . . 0.0 110.948 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.753 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -65.28 163.89 28.28 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.022 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 13' ' ' PRO . . . . . 0.753 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 63.2 Cg_exo -45.15 -38.14 14.0 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.302 2.668 . . . . 0.0 114.313 173.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -146.66 -31.36 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -165.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 7.2 p -115.87 42.78 2.25 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -167.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.483 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 26.48 1.98 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.608 0.718 . . . . 0.0 109.184 -177.631 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' C' ' 18' ' ' ALA . 13.4 ptp180 -148.14 -23.71 0.35 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -163.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -122.97 -37.93 2.67 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.978 -174.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 19' ' ' GLY . . . . . 0.543 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 89.69 21.45 40.09 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.375 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.23 172.55 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' ILE . . . . . 0.43 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 14.5 mt -142.38 124.95 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 48.48 49.85 17.67 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 124.337 1.023 . . . . 0.0 111.028 -173.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.15 13.71 60.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.64 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.01 148.09 68.21 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.73 129.06 32.61 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.199 2.599 . . . . 0.0 111.368 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.7 t -87.12 142.09 33.47 Favored Pre-proline 0 C--N 1.313 -1.005 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.701 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 27' ' ' PRO . . . . . 0.65 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 79.0 Cg_exo -28.02 -59.02 0.1 Allowed 'Trans proline' 0 C--N 1.364 1.361 1 C-N-CA 126.573 4.849 . . . . 0.0 116.675 -176.733 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.53 -1.79 6.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.558 0.694 . . . . 0.0 111.365 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 30.5 p -130.25 86.98 2.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.247 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -77.09 57.24 1.36 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.033 0.444 . . . . 0.0 111.867 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 93.88 43.12 3.94 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.679 176.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -119.08 -43.97 2.62 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.442 0.639 . . . . 0.0 109.62 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.84 -39.24 2.94 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 34' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -113.39 165.12 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.08 0.467 . . . . 0.0 112.067 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.599 HG23 ' SG ' ' C' ' 12' ' ' CYS . 10.7 pt -123.82 158.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.42 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.508 HD21 ' NE2' ' A' ' 50' ' ' HIS . 1.6 mt -86.88 149.56 24.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.153 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.89 171.68 7.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.25 169.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.95 63.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.62 -47.23 82.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.283 . . . . 0.0 110.983 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -27.8 73.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.85 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.506 ' HA ' HD23 ' C' ' 44' ' ' LEU . 12.9 m-85 -68.91 -34.39 75.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.494 0.188 . . . . 0.0 110.755 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -72.96 -33.13 65.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.401 0.619 . . . . 0.0 110.728 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.8 mp -85.5 -19.79 30.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.295 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' C' ' 41' ' ' TYR . 1.2 pp -80.37 -38.63 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.449 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.6 -28.0 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 111.012 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 74.1 t80 -75.22 -37.85 60.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.703 177.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.66 HG22 HG21 ' B' ' 47' ' ' ILE . 25.9 pt -78.22 -34.53 18.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.79 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.535 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 19.8 mm-40 -51.49 -60.51 3.06 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.51 171.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.62 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 24.7 ttpt -77.45 0.89 20.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.705 -1.134 . . . . 0.0 112.249 -165.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.718 ' O ' HD23 ' C' ' 51' ' ' LEU . 67.9 m-70 -115.04 -8.54 12.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 117.38 -1.728 . . . . 0.0 114.634 167.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.718 HD23 ' O ' ' C' ' 50' ' ' HIS . 33.2 mt -132.05 -27.68 1.81 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.597 1.09 . . . . 0.0 112.921 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -122.67 -22.87 5.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.184 0.516 . . . . 0.0 111.849 -174.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.62 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.315 -0.915 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 121.739 0.781 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -152.56 134.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.559 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.87 162.46 19.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.1 m -58.03 -28.72 64.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.439 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.64 -1.96 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -168.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.06 -21.5 14.44 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.194 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.84 -18.67 11.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.3 . . . . 0.0 111.395 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' B' ' 49' ' ' LYS . 52.2 mt-10 -130.18 133.44 46.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.284 0.564 . . . . 0.0 109.608 176.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.09 139.93 50.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.639 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -65.32 138.24 58.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 35' ' ' ILE . 7.6 m -56.69 167.44 1.02 Allowed Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.87 -36.89 54.26 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.024 2.483 . . . . 0.0 112.7 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -146.99 -30.77 0.34 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -166.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 26.3 p -115.42 42.21 2.3 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.639 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 31.29 1.04 Allowed 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 18' ' ' ALA . 15.9 ptm180 -146.93 -27.66 0.39 Allowed 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -165.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -134.94 -28.96 1.16 Allowed 'General case' 0 C--N 1.339 0.135 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.277 -172.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.03 24.03 53.6 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.236 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -146.67 159.8 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.786 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mm -124.05 101.86 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 62.74 51.27 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.614 0.571 . . . . 0.0 111.621 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.65 9.06 11.25 Favored Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.622 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.9 145.86 38.83 Favored Pre-proline 0 N--CA 1.437 -1.089 0 CA-C-N 115.633 -0.283 . . . . 0.0 110.583 -174.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 128.62 31.0 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.265 2.643 . . . . 0.0 112.065 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 52.1 t -84.68 136.12 39.72 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.841 -170.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.1 Cg_exo -28.43 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.086 1 C-N-CA 126.456 4.771 . . . . 0.0 116.83 -176.406 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.93 0.49 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -163.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.1 p -123.8 -13.97 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.172 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m 40.57 38.89 0.65 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.14 43.5 4.06 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 119.933 -1.127 . . . . 0.0 113.406 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 48.6 mtmt -126.13 -36.64 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.379 . . . . 0.0 110.163 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 113.95 -38.81 3.03 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.459 -0.657 . . . . 0.0 111.459 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 11' ' ' ALA . 34.2 m -119.26 167.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 0.0 112.013 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' A' ' 12' ' ' CYS . 21.8 pt -130.48 167.75 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.733 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 1.7 mp -87.51 163.95 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.416 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 63.2 p -105.92 177.08 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.111 170.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.02 -44.68 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.595 0.634 . . . . 0.0 111.844 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -58.95 -43.3 91.26 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.765 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.52 76.56 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.893 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.649 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.1 m-85 -70.72 -33.22 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.903 -0.175 . . . . 0.0 111.455 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -69.24 -33.4 73.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.494 0.664 . . . . 0.0 110.225 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -85.78 -16.15 39.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.439 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.77 -41.69 20.82 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.183 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.91 -23.13 62.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 110.584 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.536 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 60.5 t80 -75.38 -40.92 57.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.241 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.632 HG22 HG21 ' C' ' 47' ' ' ILE . 19.0 pt -80.01 -25.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.562 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 85.8 mm-40 -58.41 -59.43 5.37 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 165.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HG2' ' HD2' ' C' ' 32' ' ' LYS . 28.0 ttmt -78.57 -4.37 48.45 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.311 -164.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -117.67 -1.05 11.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 117.741 -1.584 . . . . 0.0 114.09 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -118.84 -51.23 2.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.414 0.626 . . . . 0.0 111.03 170.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -107.96 -28.52 9.54 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.51 -166.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 19.9 mtmt . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.075 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.665 0.745 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -152.92 134.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.693 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.01 163.3 18.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.773 0.32 . . . . 0.0 111.198 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -58.53 -29.54 66.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.48 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.31 0.17 42.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -168.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.75 -22.81 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.148 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.17 -18.42 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.468 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' C' ' 49' ' ' LYS . 54.0 mt-10 -130.15 133.23 46.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.408 0.623 . . . . 0.0 109.68 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.55 139.35 51.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.851 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.619 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.61 137.64 57.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' B' ' 35' ' ' ILE . 15.0 m -55.6 167.85 0.71 Allowed Pre-proline 0 N--CA 1.464 0.233 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -172.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -52.78 -32.45 55.89 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.312 2.675 . . . . 0.0 113.037 171.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -150.82 -30.18 0.19 Allowed 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' B' ' 26' ' ' CYS . 24.1 p -114.86 41.97 2.27 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.619 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.18 31.57 0.99 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -148.17 -28.98 0.32 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -165.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.06 -29.98 1.24 Allowed 'General case' 0 C--N 1.341 0.232 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.73 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 21.56 53.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.063 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.8 pt-20 -145.81 161.12 40.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.916 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -124.98 101.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.63 51.14 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.697 0.623 . . . . 0.0 111.668 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 8.9 10.77 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.729 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.81 146.08 39.24 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.746 -0.227 . . . . 0.0 110.408 -174.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.81 128.35 29.93 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.223 2.615 . . . . 0.0 112.14 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 49.1 t -84.1 134.49 43.48 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.548 -170.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.2 Cg_exo -27.66 -57.27 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.838 1 C-N-CA 126.383 4.722 . . . . 0.0 117.009 -175.597 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.04 0.14 5.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 -163.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 25.6 p -124.07 -12.96 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.138 -1.025 . . . . 0.0 112.414 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 40.36 39.06 0.63 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.93 45.55 3.58 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.427 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.535 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 45.6 mtmt -128.16 -36.32 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.819 0.342 . . . . 0.0 110.271 179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.63 -38.71 3.09 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -119.75 166.33 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.473 . . . . 0.0 112.131 -175.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.461 HG23 ' SG ' ' B' ' 12' ' ' CYS . 25.7 pt -129.71 168.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.728 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 1.9 mp -87.25 165.04 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.604 0.716 . . . . 0.0 112.869 -174.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.413 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.4 p -106.22 177.15 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.07 170.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.78 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.485 0.584 . . . . 0.0 111.675 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -58.8 -42.83 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.658 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -30.65 75.99 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.844 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' TYR . . . . . 0.635 ' HA ' HD23 ' B' ' 44' ' ' LEU . 9.4 m-85 -70.76 -33.09 70.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.877 -0.19 . . . . 0.0 111.426 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.7 m -69.12 -33.38 73.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.673 . . . . 0.0 110.262 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.84 -16.2 39.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.635 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.85 -41.79 20.52 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.298 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -71.11 -22.55 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.62 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 61.3 t80 -75.44 -41.61 55.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.314 174.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.615 HG22 HG21 ' A' ' 47' ' ' ILE . 18.5 pt -79.97 -26.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.489 -177.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.4 mm-40 -58.04 -59.4 5.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.297 0.57 . . . . 0.0 109.482 165.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' HG2' ' HD2' ' A' ' 32' ' ' LYS . 27.4 ttmt -78.08 -4.53 47.8 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.235 -164.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -117.45 -1.04 11.79 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 117.855 -1.538 . . . . 0.0 114.476 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.444 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -120.07 -47.4 2.38 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.36 0.6 . . . . 0.0 111.41 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -111.01 -30.11 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.305 -167.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.722 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.812 0.815 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -153.05 134.46 5.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 161.93 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.4 m -57.22 -29.25 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.637 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -81.99 -0.78 45.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -169.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -101.71 -22.58 14.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.02 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.03 -18.85 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.665 0.269 . . . . 0.0 111.529 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLU . . . . . 0.493 ' OE2' ' HD2' ' A' ' 49' ' ' LYS . 52.9 mt-10 -130.55 132.42 45.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.381 0.61 . . . . 0.0 109.784 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.68 140.38 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' ALA . . . . . 0.661 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.24 137.5 57.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.599 -178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 12' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' C' ' 35' ' ' ILE . 1.5 m -55.36 167.58 0.7 Allowed Pre-proline 0 C--N 1.332 -0.169 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.71 -32.87 57.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.938 2.425 . . . . 0.0 112.925 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -150.49 -30.22 0.2 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -167.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 29.1 p -116.07 44.03 2.02 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLU . . . . . 0.661 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 31.46 1.03 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -147.72 -28.59 0.34 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -164.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.04 -28.9 1.32 Allowed 'General case' 0 C--N 1.342 0.248 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.519 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.22 22.95 53.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.128 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 5.4 pt-20 -146.75 160.2 42.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.064 0.459 . . . . 0.0 110.839 -175.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -124.36 101.91 9.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 63.21 50.98 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.632 0.582 . . . . 0.0 111.439 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.37 9.17 10.96 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 119.951 -1.119 . . . . 0.0 112.877 -176.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.87 147.31 42.1 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-O 120.562 0.22 . . . . 0.0 110.822 -174.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -55.83 128.09 28.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.149 2.566 . . . . 0.0 111.927 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' CYS . . . . . 0.436 ' HG ' ' HG ' ' C' ' 15' ' ' CYS . 44.7 t -83.27 136.12 43.62 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -171.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -28.63 -58.56 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 126.238 4.626 . . . . 0.0 116.628 -177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 1.05 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -164.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.4 p -123.65 -12.65 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.425 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m 38.47 38.82 0.26 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.73 42.69 4.39 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 119.967 -1.111 . . . . 0.0 113.383 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.506 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 48.1 mtmt -125.52 -35.36 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.302 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.97 -39.23 2.92 Favored Glycine 0 N--CA 1.435 -1.406 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.64 166.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.971 -175.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.4 HG23 ' SG ' ' C' ' 12' ' ' CYS . 24.9 pt -129.8 168.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.61 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.536 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 1.8 mp -87.26 164.79 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.784 0.802 . . . . 0.0 112.818 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.5 p -106.22 175.94 5.33 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.105 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.71 -45.15 77.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.437 0.562 . . . . 0.0 111.941 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -58.93 -42.54 90.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.739 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.77 -31.09 77.34 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.807 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' TYR . . . . . 0.657 ' HA ' HD23 ' C' ' 44' ' ' LEU . 9.7 m-85 -70.39 -32.61 70.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.959 -0.142 . . . . 0.0 111.276 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 45.0 m -69.85 -33.76 72.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.421 0.629 . . . . 0.0 110.349 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.46 -17.4 36.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.217 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -80.27 -42.3 23.39 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.799 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.08 -23.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.0 110.739 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' PHE . . . . . 0.515 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 62.5 t80 -75.39 -41.6 55.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.226 174.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 47' ' ' ILE . 19.6 pt -79.9 -25.71 12.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.433 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 48' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.2 mm-40 -58.66 -58.81 6.94 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 165.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 49' ' ' LYS . . . . . 0.535 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 28.9 ttmt -78.42 -4.57 48.95 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.193 -164.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 50' ' ' HIS . . . . . 0.409 ' NE2' ' OE2' ' B' ' 9' ' ' GLU . 95.2 m-70 -117.58 -0.78 11.79 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 118.05 -1.46 . . . . 0.0 114.297 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.436 HD21 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -120.21 -47.21 2.38 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.453 0.644 . . . . 0.0 111.467 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -111.7 -29.26 7.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.405 -166.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' C' ' 49' ' ' LYS . 17.9 mtmt . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.623 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -104.73 -13.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 0.0 110.272 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -113.77 131.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.96 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.93 150.0 43.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.055 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.17 -15.15 55.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.515 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -6.95 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.76 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.26 -10.41 17.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.159 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD2' HD22 ' A' ' 43' ' ' LEU . 6.2 mp -119.39 -23.05 6.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.84 0.352 . . . . 0.0 111.02 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -130.05 130.34 44.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.42 139.77 50.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.669 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.65 131.97 49.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.065 0.46 . . . . 0.0 110.838 -176.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.85 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.62 165.91 5.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 124.132 0.973 . . . . 0.0 112.676 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.85 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 62.2 Cg_exo -46.45 -34.7 15.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.201 2.601 . . . . 0.0 114.291 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.54 -31.88 0.25 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -165.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.3 p -116.74 45.66 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.669 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.94 28.64 1.52 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -147.77 -21.32 0.36 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -165.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.17 -31.81 0.81 Allowed 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.904 -174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.95 26.46 37.42 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.652 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.575 ' O ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -135.06 -156.64 0.74 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 122.571 0.348 . . . . 0.0 110.131 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.647 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.0 mm -174.93 95.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 59.88 48.02 9.41 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.53 0.519 . . . . 0.0 110.517 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.63 1.57 17.32 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.458 -0.877 . . . . 0.0 113.012 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -119.26 146.19 40.2 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-N 114.66 -0.77 . . . . 0.0 111.042 -168.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 24' ' ' THR . 19.1 Cg_endo -54.14 120.5 8.06 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.488 2.792 . . . . 0.0 112.821 -176.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 45.0 t -69.94 136.19 87.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' HG13 ' A' ' 21' ' ' ILE . 57.2 Cg_exo -34.76 -58.62 0.37 Allowed 'Trans proline' 0 C--N 1.355 0.909 1 C-N-CA 125.746 4.297 . . . . 0.0 116.135 -178.039 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.57 -7.47 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -163.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 19.9 p -130.16 92.97 3.38 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 p -68.12 51.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.44 46.49 3.23 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.441 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HG2' ' HG2' ' B' ' 49' ' ' LYS . 2.1 mppt? -121.34 -35.87 3.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 109.774 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.73 -38.93 3.08 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 11' ' ' ALA . 30.7 m -112.06 161.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.966 0.412 . . . . 0.0 111.238 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.1 pt -124.33 161.89 26.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.848 174.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.475 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -89.91 164.36 14.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.646 0.736 . . . . 0.0 112.635 -172.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.06 -178.28 3.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.451 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.43 98.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.631 0.65 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -60.72 -44.04 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.642 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -32.05 78.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.67 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.574 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.2 m-85 -70.51 -31.83 69.08 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.067 0.147 . . . . 0.0 111.222 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -70.3 -30.34 67.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.288 0.566 . . . . 0.0 109.937 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.2 mp -86.52 -24.91 25.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.486 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -78.87 -41.81 28.96 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.7 -22.78 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.384 0.611 . . . . 0.0 110.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 51.3 t80 -74.79 -40.34 61.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.57 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.723 HG22 HG21 ' C' ' 47' ' ' ILE . 24.0 pt -78.11 -34.3 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.085 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' HB2' ' A' ' 53' ' ' LYS . 44.2 mm-40 -50.38 -64.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.719 170.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -77.23 -0.33 24.83 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.012 -162.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.687 ' O ' HD23 ' A' ' 51' ' ' LEU . 28.0 m80 -115.73 -5.27 12.12 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.67 -1.612 . . . . 0.0 113.517 168.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -127.89 -47.96 1.37 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.545 0.611 . . . . 0.0 111.998 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.88 -23.55 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.944 0.402 . . . . 0.0 112.003 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.613 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 7.5 mtmt . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.033 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -105.18 -16.37 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.345 0.593 . . . . 0.0 110.318 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -111.78 131.58 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.911 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.91 151.82 41.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.068 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -65.68 -14.15 60.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.26 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.54 -8.04 59.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.36 -11.8 17.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.309 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.439 ' CD2' HD22 ' B' ' 43' ' ' LEU . 6.2 mp -118.26 -22.54 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.87 130.47 43.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.14 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.69 140.08 49.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.668 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.79 132.46 50.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.121 0.486 . . . . 0.0 110.824 -177.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.861 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.45 166.08 6.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.764 -169.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.861 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 60.6 Cg_exo -46.63 -35.41 16.99 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.002 2.468 . . . . 0.0 114.165 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -148.69 -29.71 0.28 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -166.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.749 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 8.2 p -115.76 43.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -167.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.668 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 28.74 1.42 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -148.81 -24.0 0.31 Allowed 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -165.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 -31.08 0.9 Allowed 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.621 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.36 25.37 39.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.425 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -142.04 163.87 31.7 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.424 0.63 . . . . 0.0 111.116 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.621 ' O ' ' HB ' ' B' ' 24' ' ' THR . 34.9 mm -125.23 103.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 169.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.37 49.39 4.2 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.704 0.627 . . . . 0.0 110.779 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 3.49 22.45 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.842 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -120.61 143.86 37.28 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-N 114.476 -0.862 . . . . 0.0 111.245 -167.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -53.38 124.78 16.54 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.191 2.594 . . . . 0.0 112.322 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.458 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 42.0 t -77.59 138.37 62.91 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.317 -0.856 . . . . 0.0 113.032 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 64.3 Cg_exo -34.7 -59.4 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.972 1 C-N-CA 125.573 4.182 . . . . 0.0 116.056 -177.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.19 -7.37 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.833 -163.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.4 p -130.21 94.01 3.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.4 53.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.63 41.67 4.38 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.617 172.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.501 ' HG2' ' HG2' ' C' ' 49' ' ' LYS . 2.3 mppt? -117.18 -35.64 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.514 . . . . 0.0 109.719 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 110.29 -38.93 3.08 Favored Glycine 0 N--CA 1.438 -1.209 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.7 m -111.15 161.43 9.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -124.48 161.63 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.744 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.491 HD22 HD23 ' B' ' 44' ' ' LEU . 4.2 mp -88.98 164.37 15.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.513 0.673 . . . . 0.0 112.703 -172.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -105.19 -178.5 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.434 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.51 98.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.724 0.693 . . . . 0.0 110.536 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.41 -43.94 96.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.701 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.426 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -67.14 -31.8 78.6 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.703 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.553 ' HA ' HD23 ' B' ' 44' ' ' LEU . 3.3 m-85 -70.43 -32.01 69.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.14 . . . . 0.0 111.211 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -69.96 -30.6 68.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.3 0.572 . . . . 0.0 109.988 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.4 mp -86.58 -24.34 25.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.479 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -79.02 -41.9 27.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.623 -176.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.87 -22.63 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.311 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.44 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 51.5 t80 -74.66 -40.41 61.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.702 HG21 HG22 ' C' ' 47' ' ' ILE . 25.0 pt -78.21 -34.35 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.001 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.413 ' C ' ' HB2' ' B' ' 53' ' ' LYS . 47.7 mm-40 -50.38 -63.73 1.03 Allowed 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.351 0.596 . . . . 0.0 109.423 170.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.558 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 0.5 OUTLIER -76.98 -2.03 31.75 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.138 -162.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.662 ' O ' HD23 ' B' ' 51' ' ' LEU . 28.8 m80 -115.47 -4.86 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 117.432 -1.707 . . . . 0.0 113.451 169.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.662 HD23 ' O ' ' B' ' 50' ' ' HIS . 13.7 mt -128.35 -47.61 1.31 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.343 0.519 . . . . 0.0 112.034 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.76 -21.67 12.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.558 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.8 mtmt . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.447 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.24 -16.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.25 0.548 . . . . 0.0 110.446 -177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.5 131.58 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.959 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.99 150.49 42.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.044 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -63.19 -15.77 58.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.624 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.52 -7.36 59.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.657 -174.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.06 -10.67 17.87 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.272 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.44 ' CD2' HD22 ' C' ' 43' ' ' LEU . 6.2 mp -119.18 -23.11 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.08 130.51 44.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.67 140.15 49.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.643 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.06 132.82 51.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.162 0.506 . . . . 0.0 110.495 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.629 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.24 168.28 4.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.284 -0.871 . . . . 0.0 113.245 -169.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.629 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 72.7 Cg_exo -47.3 -37.29 24.32 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.097 2.532 . . . . 0.0 113.701 175.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -147.53 -29.94 0.33 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -166.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.722 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 6.2 p -114.06 41.96 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -166.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.643 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.02 27.89 1.51 Allowed 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.421 ' H ' ' H ' ' C' ' 18' ' ' ALA . 17.1 ptp180 -148.08 -22.77 0.35 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -165.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -137.83 -30.37 0.82 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.582 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.04 26.75 39.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.442 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.722 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.0 OUTLIER -143.46 163.45 33.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.659 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.4 mm -125.43 101.98 9.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 63.21 50.95 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.788 0.68 . . . . 0.0 110.553 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.71 6.28 22.49 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.935 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.4 m -122.93 143.24 40.03 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 114.529 -0.836 . . . . 0.0 111.521 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.47 126.09 20.63 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.427 2.751 . . . . 0.0 112.288 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 51.3 t -80.1 138.64 52.85 Favored Pre-proline 0 N--CA 1.448 -0.53 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.516 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 55.4 Cg_exo -34.09 -59.37 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 1 C-N-CA 125.892 4.394 . . . . 0.0 115.961 -177.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.78 -7.06 7.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.574 -165.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.435 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 21.3 p -128.92 92.05 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.58 53.75 0.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.75 43.52 4.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.379 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -118.75 -35.66 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 109.859 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 110.9 -38.6 3.23 Favored Glycine 0 N--CA 1.438 -1.206 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' C' ' 11' ' ' ALA . 30.8 m -112.22 162.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.512 HG23 ' SG ' ' C' ' 12' ' ' CYS . 13.2 pt -124.67 162.14 27.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.91 174.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.468 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -89.27 164.11 15.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.439 0.638 . . . . 0.0 112.503 -173.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.0 p -105.14 -178.82 3.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.413 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.77 96.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.733 0.697 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.09 -45.02 94.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.95 -31.78 80.59 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.668 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.565 ' HA ' HD23 ' C' ' 44' ' ' LEU . 3.2 m-85 -70.57 -32.31 69.66 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.079 0.151 . . . . 0.0 111.173 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -70.01 -30.49 67.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.224 0.535 . . . . 0.0 110.116 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.594 ' O ' HG23 ' C' ' 47' ' ' ILE . 7.4 mp -86.32 -24.69 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.45 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -78.51 -42.16 30.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.129 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -71.61 -23.11 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.426 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 50.3 t80 -74.45 -40.79 61.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.632 174.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.723 HG21 HG22 ' A' ' 47' ' ' ILE . 24.4 pt -77.82 -33.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.988 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -51.18 -63.48 1.12 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.556 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 0.7 OUTLIER -77.14 -2.18 33.01 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.878 -1.056 . . . . 0.0 112.96 -162.3 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.695 ' O ' HD23 ' C' ' 51' ' ' LEU . 29.7 m80 -115.43 -4.86 12.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 117.391 -1.724 . . . . 0.0 113.464 169.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.695 HD23 ' O ' ' C' ' 50' ' ' HIS . 13.3 mt -128.7 -47.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.269 0.486 . . . . 0.0 112.183 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -21.89 12.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.556 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.6 mtmt . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.502 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.89 -9.97 9.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 0.0 110.143 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -112.67 136.94 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.17 146.59 49.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.543 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.36 -16.36 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.525 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.2 -4.17 56.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.75 -16.08 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.778 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.33 -16.08 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 110.728 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.568 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 44.9 mt-10 -138.36 135.4 35.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.321 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 144.23 37.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.622 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.84 130.47 44.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.107 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.871 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 40.5 t -60.0 155.28 44.67 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.876 -168.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.871 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 57.4 Cg_exo -42.12 -25.5 0.41 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.168 3.245 . . . . 0.0 115.505 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' HG23 ' A' ' 21' ' ' ILE . 59.0 tttp -153.97 -34.71 0.1 Allowed 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -168.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -117.62 45.27 1.97 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -166.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.622 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.45 29.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.917 0.865 . . . . 0.0 108.798 -175.773 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -148.85 -29.6 0.27 Allowed 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -162.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.57 -38.79 2.49 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.607 -172.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.28 17.19 37.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 119.972 -1.109 . . . . 0.0 112.877 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.84 166.43 32.72 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 24' ' ' THR . 36.2 mt -141.44 126.37 17.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 54.28 42.32 31.54 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.708 0.63 . . . . 0.0 110.741 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -2.56 21.25 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.845 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.633 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 1.1 t -120.32 160.3 44.18 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 117.678 0.739 . . . . 0.0 111.699 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 14.4 Cg_endo -54.11 136.88 69.04 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.871 2.381 . . . . 0.0 112.035 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.55 140.14 31.74 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.6 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -26.5 -52.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 1 C-N-CA 126.068 4.512 . . . . 0.0 116.34 -177.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.31 -1.27 4.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -168.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 25.3 p -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.053 0.454 . . . . 0.0 110.251 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -85.78 58.43 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 89.69 48.68 3.6 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.185 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 14.2 mtpp -122.61 -40.37 2.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -172.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.27 -40.39 2.55 Favored Glycine 0 N--CA 1.434 -1.491 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.0 167.75 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 0.0 112.136 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.58 163.85 35.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.922 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD22 HD23 ' A' ' 44' ' ' LEU . 4.9 mp -88.04 163.9 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -172.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 59.7 p -106.21 174.96 5.66 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.431 -1.259 . . . . 0.0 108.172 172.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.04 82.02 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.884 0.765 . . . . 0.0 111.093 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -52.25 -52.49 52.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.86 -30.81 78.97 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 113.34 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.8 m-85 -69.29 -33.31 73.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.078 0.439 . . . . 0.0 111.146 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -69.43 -30.68 68.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.722 0.772 . . . . 0.0 109.915 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.23 -12.74 45.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.509 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -84.97 -44.04 13.46 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.026 -0.669 . . . . 0.0 110.067 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.23 -23.31 61.98 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.177 0.513 . . . . 0.0 110.099 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.6 -43.22 60.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.055 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.682 HG21 HG22 ' B' ' 47' ' ' ILE . 21.4 pt -79.36 -28.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.918 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.537 ' HA ' HD11 ' B' ' 51' ' ' LEU . 20.3 mm-40 -58.12 -52.36 65.87 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.671 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 19.7 ttpt -79.32 -3.41 45.99 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.968 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.432 ' HB2' HD11 ' C' ' 47' ' ' ILE . 26.3 m80 -117.57 -0.76 11.8 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 116.938 -1.905 . . . . 0.0 113.823 168.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.7 mm? -116.15 -29.51 6.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.148 0.499 . . . . 0.0 111.17 173.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -136.74 -30.68 0.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.312 -164.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.671 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 16.3 mtmt . . . . . 0 C--O 1.247 0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.24 -7.55 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.423 0.63 . . . . 0.0 110.248 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -115.91 136.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 146.38 49.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.302 171.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -61.58 -16.06 44.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.613 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.13 -4.64 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.426 -175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -103.11 -15.66 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.031 0.443 . . . . 0.0 110.741 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.1 -15.88 12.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.097 0.475 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.534 ' OE1' ' HE3' ' C' ' 49' ' ' LYS . 45.0 mt-10 -138.35 137.83 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.274 175.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.77 145.25 35.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.604 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.47 131.19 46.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.268 0.556 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.899 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 14.3 t -58.61 155.86 26.97 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.064 -169.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.899 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 57.6 Cg_exo -42.56 -26.49 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.278 3.319 . . . . 0.0 115.014 177.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HD3' HG23 ' B' ' 21' ' ' ILE . 55.8 tttp -153.75 -33.56 0.11 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -169.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.81 46.46 1.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -167.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.604 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.3 28.92 1.33 Allowed 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -176.303 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -148.92 -29.26 0.27 Allowed 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -163.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.84 2.75 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.563 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.99 18.81 38.62 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.406 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -158.19 166.12 33.21 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.609 ' O ' HG22 ' B' ' 24' ' ' THR . 30.9 mt -142.18 126.45 16.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 54.45 42.05 31.6 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 123.896 0.747 . . . . 0.0 110.619 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.84 -1.84 28.55 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.954 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.609 HG22 ' O ' ' B' ' 21' ' ' ILE . 2.8 t -121.08 158.16 53.42 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 117.374 0.587 . . . . 0.0 111.556 -172.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.599 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 13.5 Cg_endo -53.95 133.59 55.57 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.844 2.363 . . . . 0.0 111.681 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.419 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 32.3 t -85.22 141.84 37.6 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.54 -170.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.419 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 62.5 Cg_exo -26.69 -51.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 126.206 4.604 . . . . 0.0 116.683 -177.484 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -1.62 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -169.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 19.9 p -136.7 100.64 4.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -82.08 58.28 3.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.211 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 89.67 47.86 3.85 Favored Glycine 0 CA--C 1.505 -0.534 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.172 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 14.6 mtpp -121.54 -40.75 2.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -171.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.83 -39.88 2.71 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.49 168.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.207 0.527 . . . . 0.0 112.098 -176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 pt -130.81 163.94 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.801 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.434 HD22 HD23 ' B' ' 44' ' ' LEU . 4.8 mp -87.94 163.96 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -172.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.432 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 44.8 p -106.18 174.9 5.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.178 172.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.98 76.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.826 0.739 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -51.89 -52.98 45.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.536 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.24 -30.96 79.29 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.235 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.602 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.1 m-85 -69.4 -33.2 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.128 0.464 . . . . 0.0 111.188 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -69.18 -31.04 69.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.763 0.792 . . . . 0.0 109.983 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.13 -12.79 46.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.528 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -84.91 -44.16 13.42 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.041 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.26 -23.1 61.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.07 0.462 . . . . 0.0 110.117 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.79 -43.59 58.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.073 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.682 HG22 HG21 ' A' ' 47' ' ' ILE . 21.3 pt -79.26 -28.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.844 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.537 ' HA ' HD11 ' C' ' 51' ' ' LEU . 21.2 mm-40 -58.16 -52.0 67.38 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.691 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 21.0 ttpt -79.63 -3.33 46.66 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.971 -167.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' A' ' 47' ' ' ILE . 26.2 m80 -117.5 -0.75 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 116.928 -1.909 . . . . 0.0 113.847 168.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.8 mm? -116.11 -29.43 6.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.287 0.565 . . . . 0.0 111.032 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -136.44 -31.15 0.89 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.07 -164.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.691 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 16.1 mtmt . . . . . 0 C--O 1.249 1.066 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -105.54 -9.73 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.299 0.571 . . . . 0.0 110.294 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -113.31 137.74 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.8 146.65 50.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.655 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.14 -16.39 43.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.582 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.89 -4.7 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.536 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -102.76 -16.43 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.0 110.644 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.401 ' HA ' ' OG1' ' C' ' 37' ' ' THR . 7.3 mp -114.05 -16.05 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 45.2 mt-10 -137.68 138.02 38.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.066 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.8 p -128.85 145.11 36.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.645 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.24 130.7 44.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.85 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.895 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 16.5 t -58.94 154.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.093 -169.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.895 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 49.3 Cg_exo -41.41 -26.58 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.415 3.41 . . . . 0.0 115.32 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' LYS . . . . . 0.414 ' HD3' HG23 ' C' ' 21' ' ' ILE . 57.4 tttp -153.25 -34.32 0.11 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -168.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.492 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 17.0 p -117.9 45.27 2.0 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -165.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.645 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.99 29.03 1.43 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -175.477 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -148.74 -27.24 0.3 Allowed 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -163.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.77 -35.36 2.31 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.898 -1.047 . . . . 0.0 112.897 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.453 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 92.69 17.28 45.54 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.569 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.87 164.64 37.84 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.599 ' O ' HG22 ' C' ' 24' ' ' THR . 33.5 mt -141.53 126.03 17.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 54.46 43.63 30.05 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.895 0.747 . . . . 0.0 111.064 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.73 -0.1 22.33 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.938 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 2.9 t -122.74 158.99 55.28 Favored Pre-proline 0 C--O 1.239 0.535 0 CA-C-N 117.507 0.654 . . . . 0.0 111.511 -173.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 12.9 Cg_endo -53.11 136.44 61.49 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.975 2.45 . . . . 0.0 111.622 174.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 t -88.66 141.24 29.98 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.287 -170.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -25.48 -51.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.064 1 C-N-CA 126.271 4.647 . . . . 0.0 116.615 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.39 -1.23 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' C' ' 32' ' ' LYS . 20.0 p -137.02 100.68 4.35 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.532 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -80.47 57.94 3.01 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.142 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.41 48.93 3.84 Favored Glycine 0 CA--C 1.504 -0.645 0 C-N-CA 120.166 -1.016 . . . . 0.0 111.156 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 15.0 mtpp -121.21 -41.35 2.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -172.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.52 -40.12 2.61 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.42 167.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.224 0.535 . . . . 0.0 112.152 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 pt -130.14 164.14 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.787 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.428 HD22 HD23 ' C' ' 44' ' ' LEU . 4.8 mp -88.2 163.81 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' THR . . . . . 0.443 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 68.3 p -106.0 175.58 5.45 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.41 -1.268 . . . . 0.0 108.25 172.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.19 84.01 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.018 0.826 . . . . 0.0 111.054 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -51.91 -52.85 47.09 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.481 172.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.49 -31.12 79.82 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.307 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.579 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.1 m-85 -69.35 -33.04 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.109 0.455 . . . . 0.0 111.165 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -69.71 -30.72 68.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.633 0.73 . . . . 0.0 110.068 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.404 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.2 mp -87.06 -13.21 44.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.576 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -84.22 -44.4 13.95 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.976 -179.518 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.21 -23.03 61.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.108 0.48 . . . . 0.0 110.118 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -73.81 -43.46 58.73 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.144 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.661 HG21 HG22 ' A' ' 47' ' ' ILE . 21.4 pt -79.36 -28.91 13.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.528 ' HA ' HD11 ' A' ' 51' ' ' LEU . 21.0 mm-40 -57.81 -52.12 66.76 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 168.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.69 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 19.6 ttpt -79.28 -4.02 48.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.082 -167.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' B' ' 47' ' ' ILE . 26.8 m80 -117.32 -0.36 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 116.932 -1.907 . . . . 0.0 113.778 169.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.7 mm? -116.88 -27.63 6.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.249 0.547 . . . . 0.0 111.249 173.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -139.54 -29.07 0.75 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.394 -163.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.69 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 15.7 mtmt . . . . . 0 C--O 1.248 0.995 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -104.89 1.74 10.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.708 . . . . 0.0 110.072 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -134.99 135.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.222 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.15 150.94 41.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.002 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 m -67.9 -14.13 62.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.045 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.03 -6.55 58.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -103.79 -12.67 16.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.76 -18.19 11.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.557 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' OE2' ' HE1' ' B' ' 50' ' ' HIS . 23.3 mt-10 -137.1 136.77 38.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.182 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.41 145.21 36.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.747 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.62 131.4 47.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.135 0.493 . . . . 0.0 110.896 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.74 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.25 171.07 1.77 Allowed Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 124.165 0.986 . . . . 0.0 113.33 -171.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.74 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 59.2 Cg_exo -47.96 -41.6 32.61 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.286 2.657 . . . . 0.0 114.442 173.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -146.34 -25.83 0.43 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -165.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.7 p -115.27 40.98 2.55 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -168.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.747 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -90.66 35.68 0.89 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.626 -178.667 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 18' ' ' ALA . 4.0 ptp85 -149.37 -23.92 0.29 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -131.25 -28.92 1.86 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.47 49.78 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.266 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 3.4 pt-20 -148.64 155.72 41.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.509 . . . . 0.0 111.062 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.54 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.6 mm -123.57 103.46 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.87 48.58 3.12 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.042 0.839 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.52 9.83 20.05 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.732 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -122.74 145.81 46.3 Favored Pre-proline 0 C--N 1.305 -1.344 0 CA-C-N 114.376 -0.912 . . . . 0.0 110.681 -170.767 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.54 135.17 68.84 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 0.0 111.979 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.48 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 45.6 t -90.84 137.35 26.87 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 66.9 Cg_exo -31.45 -60.11 0.17 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 126.16 4.573 . . . . 0.0 116.47 -177.168 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.19 -6.6 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.422 0.63 . . . . 0.0 111.377 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 30.0 p -130.6 88.67 2.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.742 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -75.76 55.34 0.86 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.238 0.542 . . . . 0.0 111.457 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.88 46.05 2.53 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.276 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -117.52 -43.86 2.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.466 0.65 . . . . 0.0 109.518 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.63 -38.14 3.2 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -174.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -112.67 163.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.89 0.376 . . . . 0.0 111.802 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.6 pt -124.12 159.98 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.645 175.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.35 161.99 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.814 0.816 . . . . 0.0 112.999 -171.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -106.03 174.89 5.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.319 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.96 80.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.507 0.594 . . . . 0.0 111.405 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.53 -42.48 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.781 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.74 -30.22 70.71 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.584 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.9 m-85 -69.51 -32.93 72.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.402 0.144 . . . . 0.0 111.163 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.34 0.59 . . . . 0.0 110.448 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 mp -87.58 -16.9 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -82.73 -45.83 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.963 -177.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.47 -21.58 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.047 0.451 . . . . 0.0 110.551 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.38 -40.35 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.653 HG22 HG21 ' C' ' 47' ' ' ILE . 29.9 pt -77.55 -31.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.113 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.0 mm-40 -52.59 -58.16 7.68 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.89 0.78 22.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.256 -164.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.669 ' O ' HD23 ' A' ' 51' ' ' LEU . 12.2 m-70 -114.61 -10.96 12.44 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 117.618 -1.633 . . . . 0.0 114.253 168.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 50' ' ' HIS . 19.0 mt -127.68 -42.22 1.63 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.108 0.867 . . . . 0.0 111.895 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -106.06 -25.31 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.417 . . . . 0.0 111.927 -173.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.624 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.9 mtmm . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.236 -0.887 . . . . 0.0 109.015 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -105.41 3.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 110.186 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.445 HG22 ' HG3' ' C' ' 39' ' ' GLN . 16.2 tt -136.43 135.48 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.231 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.88 149.8 42.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.788 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.5 m -66.53 -14.26 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.758 -176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.15 -6.04 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.373 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -103.61 -12.95 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.99 -17.99 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' OE2' ' HE1' ' C' ' 50' ' ' HIS . 22.8 mt-10 -137.33 136.32 37.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.158 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.53 145.43 35.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.805 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.05 131.41 47.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.061 0.457 . . . . 0.0 111.221 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.815 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.6 OUTLIER -61.6 168.02 3.75 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.118 0.967 . . . . 0.0 113.141 -172.234 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.815 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 54.3 Cg_exo -46.59 -39.8 23.22 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.5 2.133 . . . . 0.0 114.146 171.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -146.01 -24.52 0.45 Allowed 'General case' 0 C--N 1.347 0.486 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.605 ' SG ' 'ZN ' ' B' ' 54' ' ' ' ZN' . 7.5 p -116.59 41.38 2.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -168.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.805 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.4 OUTLIER -90.33 34.48 0.87 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.411 0.624 . . . . 0.0 110.685 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -150.25 -25.95 0.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.98 -39.67 2.08 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.84 23.64 25.06 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 119.556 -1.307 . . . . 0.0 113.69 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.589 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.0 pt-20 -152.95 159.16 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.129 0.465 . . . . 0.0 110.888 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.3 mm -124.29 102.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 64.06 49.69 2.66 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 124.163 0.914 . . . . 0.0 111.436 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.74 10.11 23.06 Favored Glycine 0 N--CA 1.467 0.727 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.828 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -124.39 143.73 43.85 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 114.46 -0.87 . . . . 0.0 110.44 -169.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -55.8 134.08 61.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.825 2.35 . . . . 0.0 112.436 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.2 t -89.29 134.6 32.62 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -29.69 -57.99 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 1 C-N-CA 126.617 4.878 . . . . 0.0 116.765 -176.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.16 -8.63 9.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.748 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 21.8 p -130.88 93.49 3.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 58.52 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 46.57 2.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.609 -0.723 . . . . 0.0 113.318 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 44.5 mtmt -119.24 -44.76 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.627 0.727 . . . . 0.0 109.257 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.554 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 117.31 -38.57 2.93 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.85 163.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.935 0.397 . . . . 0.0 111.864 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 pt -124.04 159.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.412 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.516 HD22 HD23 ' B' ' 44' ' ' LEU . 4.3 mp -87.25 161.98 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -105.86 173.45 6.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.539 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.38 70.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 118.33 0.514 . . . . 0.0 111.638 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.11 -44.2 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.655 0.264 . . . . 0.0 110.731 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.4 -28.43 71.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.532 ' HA ' HD23 ' B' ' 44' ' ' LEU . 11.4 m-85 -69.37 -32.24 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.576 0.227 . . . . 0.0 110.966 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -71.14 -31.27 67.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.499 0.666 . . . . 0.0 109.965 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 47' ' ' ILE . 6.2 mp -87.21 -20.01 27.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.433 -176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -80.83 -45.46 16.86 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.596 -0.69 . . . . 0.0 110.304 -177.475 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.61 -21.39 60.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.421 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -74.09 -40.47 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.673 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.652 HG22 HG21 ' A' ' 47' ' ' ILE . 28.0 pt -77.62 -31.31 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.985 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -52.19 -58.6 6.13 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.639 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 25.7 ttmt -77.55 0.86 21.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.312 -164.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.667 ' O ' HD23 ' B' ' 51' ' ' LEU . 11.5 m-70 -114.56 -9.45 12.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.073 168.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.667 HD23 ' O ' ' B' ' 50' ' ' HIS . 23.7 mt -129.21 -42.81 1.34 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.024 0.829 . . . . 0.0 111.877 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -106.34 -23.41 12.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 0.0 111.899 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.639 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.456 -0.783 . . . . 0.0 109.187 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.67 3.26 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.804 0.811 . . . . 0.0 110.043 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.0 tt -136.86 134.82 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.29 149.24 43.99 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.778 174.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -65.22 -14.53 60.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.236 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.6 -6.31 58.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.31 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -104.08 -11.7 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.38 -17.84 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.786 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLU . . . . . 0.438 ' OE2' ' HE1' ' A' ' 50' ' ' HIS . 23.2 mt-10 -137.57 135.37 36.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.047 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.57 144.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.758 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.2 131.44 47.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.418 0.627 . . . . 0.0 111.127 -176.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.712 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.51 171.44 1.73 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.507 -170.734 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.712 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 67.6 Cg_exo -49.0 -41.82 39.41 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.888 2.392 . . . . 0.0 114.259 173.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.98 -26.59 0.48 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -165.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.533 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 28.6 p -115.31 41.44 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 118.992 -1.083 . . . . 0.0 113.829 -168.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.758 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -89.53 35.3 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.423 ' H ' ' H ' ' C' ' 18' ' ' ALA . 3.6 ptp85 -149.25 -25.57 0.29 Allowed 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.423 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -127.96 -33.29 2.23 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 115.431 -0.804 . . . . 0.0 113.033 -169.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.75 25.59 37.91 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.405 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.2 pt-20 -150.97 156.05 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.153 0.502 . . . . 0.0 111.328 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.609 ' O ' ' HB ' ' C' ' 24' ' ' THR . 33.2 mm -123.12 102.2 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 175.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 64.45 50.22 2.28 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.312 1.007 . . . . 0.0 111.285 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 12.06 25.38 Favored Glycine 0 N--CA 1.465 0.618 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.72 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.609 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -125.54 144.43 47.97 Favored Pre-proline 0 C--N 1.303 -1.444 0 CA-C-N 114.34 -0.93 . . . . 0.0 110.553 -168.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -57.47 132.37 50.2 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.731 2.287 . . . . 0.0 112.463 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.436 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 53.3 t -89.26 135.64 31.08 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -170.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 60.1 Cg_exo -30.29 -58.55 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 126.511 4.808 . . . . 0.0 116.846 -176.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.33 -6.88 9.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.403 0.62 . . . . 0.0 111.271 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 31.8 p -130.87 89.86 2.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.775 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -76.96 56.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 111.213 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.15 46.1 2.68 Favored Glycine 0 N--CA 1.441 -0.969 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.052 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' C' ' 32' ' ' LYS . 42.8 mtmt -117.49 -43.93 2.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.5 0.667 . . . . 0.0 109.274 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 115.8 -38.18 3.17 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.93 164.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 111.728 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.451 HG23 ' SG ' ' C' ' 12' ' ' CYS . 8.7 pt -124.16 160.0 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.621 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -87.48 161.58 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.746 0.784 . . . . 0.0 113.082 -171.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -105.7 174.79 5.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.508 -1.224 . . . . 0.0 108.19 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.63 78.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.411 0.551 . . . . 0.0 111.455 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' GLN . . . . . 0.445 ' HG3' HG22 ' B' ' 3' ' ' ILE . 53.9 tt0 -59.44 -44.37 92.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.56 -27.97 71.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.845 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.518 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.9 m-85 -69.56 -32.03 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.541 0.21 . . . . 0.0 110.897 175.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.2 m -71.08 -32.12 68.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.453 0.644 . . . . 0.0 110.009 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.49 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.3 mp -87.19 -19.12 28.88 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.502 -175.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.553 HD23 HD22 ' C' ' 36' ' ' LEU . 0.9 OUTLIER -81.19 -45.14 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.377 -178.283 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.59 -22.35 60.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 0.0 110.489 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.84 -40.0 63.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.554 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.653 HG21 HG22 ' A' ' 47' ' ' ILE . 28.5 pt -77.67 -31.38 17.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.24 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -50.87 -58.95 4.7 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.571 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 28.3 ttmt -77.87 0.7 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.211 -163.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.646 ' O ' HD23 ' C' ' 51' ' ' LEU . 12.1 m-70 -114.75 -9.74 12.5 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 117.45 -1.7 . . . . 0.0 114.167 168.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.646 HD23 ' O ' ' C' ' 50' ' ' HIS . 22.3 mt -127.63 -43.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.004 0.82 . . . . 0.0 111.859 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.58 -24.65 12.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.573 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 8.2 mtmm . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.549 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . 0.605 'ZN ' ' SG ' ' B' ' 15' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -105.51 -6.22 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.444 0.64 . . . . 0.0 110.683 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.62 136.8 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.308 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.27 163.35 16.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 m -65.98 -13.82 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.333 0.587 . . . . 0.0 110.066 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.77 -5.59 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.51 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.7 -0.42 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.272 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -121.59 -26.54 4.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.653 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -146.77 152.08 38.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.397 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.87 144.56 36.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.187 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 34' ' ' VAL . . . -64.17 134.47 54.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.13 0.491 . . . . 0.0 110.623 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.648 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.2 m -56.32 165.86 1.39 Allowed Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -171.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -51.37 -32.55 42.56 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.975 2.45 . . . . 0.0 113.187 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -152.24 -29.7 0.16 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.66 41.78 2.44 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -167.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -91.81 28.03 1.91 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -177.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -148.68 -24.22 0.32 Allowed 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -164.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.32 -36.13 1.5 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.116 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.15 20.0 44.11 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.95 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.41 162.96 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' HB ' ' A' ' 24' ' ' THR . 26.8 mm -127.8 108.37 17.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 60.74 45.47 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.356 0.41 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.07 4.96 17.51 Favored Glycine 0 CA--C 1.509 -0.322 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.519 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.65 146.45 39.92 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.173 -170.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.49 133.8 58.37 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.126 2.55 . . . . 0.0 111.975 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 46.9 t -85.71 140.06 35.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.4 Cg_exo -31.39 -53.67 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 125.71 4.273 . . . . 0.0 116.115 -178.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -3.27 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -167.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 13.8 p -130.61 105.88 8.12 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 p -82.14 50.84 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.957 -0.464 . . . . 0.0 112.244 -177.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.88 39.9 5.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.15 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -110.93 -39.9 4.67 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.8 -38.85 2.86 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.57 163.67 12.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.648 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.0 pt -124.34 161.24 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.256 173.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -87.08 156.53 19.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -173.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.12 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.02 169.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.51 -44.54 85.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.699 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.54 -30.23 73.04 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.79 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.592 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.9 m-85 -69.2 -32.34 71.55 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.828 -0.219 . . . . 0.0 110.854 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 m -70.44 -35.42 73.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.313 0.578 . . . . 0.0 110.856 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.45 -13.3 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.449 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.599 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -82.35 -42.63 18.46 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.744 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.24 -25.12 63.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.975 0.417 . . . . 0.0 110.673 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 63.6 t80 -74.87 -39.39 61.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.765 HG21 HG22 ' B' ' 47' ' ' ILE . 22.8 pt -79.61 -31.63 14.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.564 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 84.6 mm-40 -55.29 -58.14 8.92 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.831 168.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 27.7 ttpt -79.0 1.17 24.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.005 -165.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.504 ' NE2' HD21 ' C' ' 36' ' ' LEU . 62.0 m80 -117.42 -1.31 11.76 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.794 -1.562 . . . . 0.0 114.033 164.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' C' ' 52' ' ' ASN . 3.4 mm? -121.98 -42.89 2.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.744 0.702 . . . . 0.0 111.346 175.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.409 ' OD1' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -124.06 -19.79 5.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -166.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.568 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -105.2 -8.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.453 0.644 . . . . 0.0 110.611 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.407 HG22 ' HG3' ' C' ' 39' ' ' GLN . 16.8 tt -122.97 137.38 56.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.263 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.71 164.16 15.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.2 m -65.43 -13.51 58.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.511 . . . . 0.0 110.241 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.7 -6.08 59.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.738 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.9 0.46 38.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.188 0.518 . . . . 0.0 109.978 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.0 mt -123.43 -27.34 4.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -146.83 151.02 36.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.12 146.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.976 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.12 134.46 54.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.541 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -58.41 165.03 3.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.081 -0.963 . . . . 0.0 113.185 -171.493 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 91.0 Cg_exo -51.36 -30.81 35.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.843 2.362 . . . . 0.0 113.965 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -151.31 -31.0 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -165.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 24.2 p -116.28 43.14 2.24 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -169.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.534 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.18 27.42 1.89 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.032 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -147.97 -27.19 0.34 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -164.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.66 -35.3 2.14 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.105 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.78 50.56 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.968 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 6.2 pt-20 -149.9 158.86 44.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.4 mm -125.97 107.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 59.9 43.62 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.322 0.389 . . . . 0.0 111.119 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.07 2.82 20.22 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.427 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -118.28 144.43 35.0 Favored Pre-proline 0 C--N 1.309 -1.188 0 CA-C-N 115.191 -0.505 . . . . 0.0 111.044 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.21 127.97 28.0 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.596 2.864 . . . . 0.0 112.622 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.2 t -79.28 138.0 56.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -171.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -30.36 -54.1 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.049 1 C-N-CA 125.926 4.418 . . . . 0.0 116.06 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.56 -3.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -167.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 14.9 p -132.76 103.99 6.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -82.02 51.67 1.81 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.5 43.16 4.34 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.884 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -114.3 -40.34 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.26 -39.75 2.56 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -177.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' B' ' 11' ' ' ALA . 34.3 m -114.2 163.0 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 pt -124.54 161.04 28.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.179 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.548 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -87.38 156.49 19.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.188 0.811 . . . . 0.0 113.188 -172.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -107.15 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.122 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.05 -45.69 68.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.96 -45.72 86.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.969 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 -30.05 75.03 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.062 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.558 ' HA ' HD23 ' B' ' 44' ' ' LEU . 10.5 m-85 -69.51 -32.76 71.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.726 -0.279 . . . . 0.0 110.959 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.61 -35.2 75.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.331 0.586 . . . . 0.0 110.74 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.45 -14.07 44.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.691 -174.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.593 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -82.63 -41.88 18.89 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.054 -0.658 . . . . 0.0 109.822 179.181 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.26 -25.17 63.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.635 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 63.5 t80 -74.85 -39.75 61.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.248 176.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.765 HG22 HG21 ' A' ' 47' ' ' ILE . 23.2 pt -79.51 -31.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.465 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 83.4 mm-40 -55.42 -58.67 6.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 168.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 26.7 ttpt -78.41 1.01 23.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.001 -165.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.515 ' NE2' HD21 ' A' ' 36' ' ' LEU . 62.6 m80 -117.23 -1.36 11.84 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 117.965 -1.494 . . . . 0.0 114.049 164.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.417 HD21 HG13 ' A' ' 47' ' ' ILE . 3.4 mm? -122.17 -43.01 2.34 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.765 0.711 . . . . 0.0 111.304 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASN . . . . . 0.425 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -125.37 -17.88 5.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -166.803 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.553 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 10.3 mtmt . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.305 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.04 -8.98 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -122.77 137.31 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.91 16.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.3 m -66.21 -13.21 59.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.188 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.55 -6.33 59.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -101.88 2.3 37.94 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.116 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.3 mt -123.96 -27.92 3.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.696 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLU . . . . . 0.462 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 23.1 mt-10 -146.71 151.72 37.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.37 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -132.31 145.48 34.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.62 133.05 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 110.764 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.64 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -57.03 165.06 1.97 Allowed Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.296 -0.865 . . . . 0.0 113.178 -170.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.64 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 82.3 Cg_exo -51.75 -28.33 29.86 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.066 2.51 . . . . 0.0 114.493 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -153.4 -31.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -166.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 43.89 2.19 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.931 -1.108 . . . . 0.0 113.852 -166.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.516 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 26.39 2.22 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.463 -0.79 . . . . 0.0 108.941 -177.668 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.6 ptp180 -147.72 -25.04 0.37 Allowed 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -164.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -128.95 -34.3 1.94 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.954 -175.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.59 19.44 51.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.89 159.62 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 111.014 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.509 ' O ' ' HB ' ' C' ' 24' ' ' THR . 28.2 mm -125.75 107.7 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 59.15 45.25 14.73 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.226 0.329 . . . . 0.0 111.161 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.63 5.66 18.87 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.466 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -118.71 145.77 38.41 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.247 -0.476 . . . . 0.0 111.007 -172.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -53.92 133.1 53.19 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.397 2.731 . . . . 0.0 112.221 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.6 t -85.58 137.46 36.31 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -170.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -30.11 -53.35 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.958 1 C-N-CA 126.02 4.48 . . . . 0.0 116.191 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.19 -1.59 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.477 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 15.3 p -133.2 103.73 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -80.37 51.39 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.65 4.84 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.213 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -113.09 -39.42 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 116.92 -39.31 2.71 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -114.16 163.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 112.198 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 11.5 pt -124.86 160.98 29.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.159 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.545 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -87.2 156.54 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -107.41 175.22 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.122 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.89 67.42 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' GLN . . . . . 0.407 ' HG3' HG22 ' B' ' 3' ' ' ILE . 17.8 tt0 -58.69 -43.99 90.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.766 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLY . . . . . 0.435 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.06 -30.65 74.09 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.998 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.548 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.4 m-85 -69.38 -32.85 72.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.703 -0.292 . . . . 0.0 110.977 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.82 -35.18 74.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.333 0.587 . . . . 0.0 110.789 173.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.49 -14.33 43.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.78 -174.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.11 -42.11 19.59 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.689 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.07 -25.25 63.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.0 0.428 . . . . 0.0 110.78 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 63.3 t80 -75.02 -40.04 60.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.331 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.722 HG21 HG22 ' A' ' 47' ' ' ILE . 22.7 pt -79.4 -31.35 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.497 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 83.9 mm-40 -55.28 -58.7 6.62 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.713 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.568 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.7 ttpt -78.85 0.92 25.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.373 -0.83 . . . . 0.0 113.002 -165.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.486 ' NE2' HD21 ' B' ' 36' ' ' LEU . 61.6 m80 -116.75 -1.61 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.901 -1.52 . . . . 0.0 113.947 164.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.436 HD21 HG13 ' B' ' 47' ' ' ILE . 3.4 mm? -121.69 -45.32 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.992 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ASN . . . . . 0.421 ' OD1' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.38 -17.28 6.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -166.243 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.338 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.91 -5.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.96 137.2 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.632 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 147.72 49.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.532 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.58 -18.88 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.527 -175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.07 -2.34 55.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.218 -174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -101.38 -21.25 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 46' ' ' PHE . 7.9 mp -108.42 -10.41 15.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 0.0 110.609 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.412 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 42.4 mt-10 -141.03 142.99 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.521 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.57 142.62 43.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.802 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.12 131.55 47.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.181 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.867 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 49.3 t -62.7 153.88 76.77 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.267 -169.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.867 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 Cg_exo -38.37 -36.46 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.585 2.856 . . . . 0.0 114.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' HD3' HG23 ' A' ' 21' ' ' ILE . 63.1 tttp -143.64 -30.59 0.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -166.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 20.2 p -117.05 47.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -169.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.86 27.61 1.76 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -177.468 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -148.53 -26.82 0.32 Allowed 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -39.9 2.41 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.937 -169.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.523 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 94.49 14.28 51.06 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.966 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.6 pt-20 -153.01 164.54 37.8 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.522 HG23 ' HD3' ' A' ' 14' ' ' LYS . 16.9 mt -132.98 121.67 44.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 172.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.85 42.13 31.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 123.972 0.795 . . . . 0.0 110.757 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.2 -2.68 50.76 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.752 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.6 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -119.17 160.91 39.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 O-C-N 122.693 -0.298 . . . . 0.0 111.559 -173.679 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.6 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -57.09 137.59 82.55 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.018 2.479 . . . . 0.0 111.814 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 40.7 t -91.09 140.98 26.03 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -171.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 46.9 Cg_exo -27.42 -52.55 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.041 1 C-N-CA 126.274 4.649 . . . . 0.0 116.717 -178.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 -5.21 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -167.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -132.94 99.43 4.58 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.3 m -77.92 55.85 1.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.05 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.523 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 88.75 47.12 4.34 Favored Glycine 0 CA--C 1.504 -0.641 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.507 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -119.05 -37.38 3.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -172.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.42 -39.56 2.82 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.7 m -125.77 169.27 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.068 0.461 . . . . 0.0 111.989 -176.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 pt -129.25 161.07 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.843 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 44' ' ' LEU . 4.6 mp -87.6 164.41 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -106.19 177.75 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.362 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.98 77.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.454 0.57 . . . . 0.0 111.7 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.88 -41.01 95.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.69 0.281 . . . . 0.0 110.812 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.18 73.78 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.575 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.585 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.3 m-85 -69.75 -33.02 71.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.779 -0.211 . . . . 0.0 110.919 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.06 -32.38 70.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.301 0.572 . . . . 0.0 110.537 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.41 -14.1 44.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.723 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -83.59 -40.2 19.37 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.836 179.008 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.38 -23.13 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.437 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' C' ' 9' ' ' GLU . 1.6 t80 -73.83 -44.26 56.19 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.403 0.621 . . . . 0.0 110.015 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.703 HG21 HG22 ' B' ' 47' ' ' ILE . 19.1 pt -79.84 -28.31 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.48 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.1 mm-40 -54.89 -58.69 6.57 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.443 0.64 . . . . 0.0 109.525 166.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.656 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 9.1 ttpt -78.96 -3.0 42.78 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.181 -165.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.437 ' HB2' HD11 ' C' ' 47' ' ' ILE . 28.5 m80 -117.74 -0.63 11.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 116.719 -1.992 . . . . 0.0 113.979 168.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.474 HD21 ' HB ' ' C' ' 47' ' ' ILE . 3.6 mm? -119.01 -33.34 4.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.389 0.541 . . . . 0.0 111.31 172.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.71 -30.77 2.75 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -167.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.656 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 8.6 mtmm . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.635 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.86 -4.31 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.507 0.67 . . . . 0.0 110.495 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 tt -130.07 137.26 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.18 147.72 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.534 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -61.82 -19.42 62.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.358 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -83.25 -1.66 53.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.299 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 -20.42 14.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -109.06 -10.22 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 110.627 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.439 ' HG3' ' CE1' ' C' ' 46' ' ' PHE . 42.5 mt-10 -141.04 143.17 34.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.599 174.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.86 142.75 42.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.027 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.468 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.48 133.4 51.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 1.001 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 50.9 t -71.14 154.67 93.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.701 -166.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 1.001 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.7 Cg_exo -36.24 -42.9 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 124.217 3.278 . . . . 0.0 114.797 -177.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.561 ' HD3' HG23 ' B' ' 21' ' ' ILE . 58.9 tttp -140.26 -26.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.693 -168.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.604 ' O ' ' HB3' ' B' ' 12' ' ' CYS . 14.7 p -116.09 109.9 18.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.919 0.866 . . . . 0.0 111.561 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -152.84 15.45 0.56 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -177.124 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -148.49 -30.17 0.28 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.272 -159.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.91 -39.72 2.81 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.977 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.66 39.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.238 -0.982 . . . . 0.0 111.852 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 2.2 pt-20 -154.27 170.83 20.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.561 HG23 ' HD3' ' B' ' 14' ' ' LYS . 13.6 mt -138.41 122.52 21.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 171.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.55 43.44 30.27 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.075 0.859 . . . . 0.0 110.372 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.42 0.72 39.87 Favored Glycine 0 CA--C 1.522 0.515 0 CA-C-N 116.181 -0.463 . . . . 0.0 113.973 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.552 ' OG1' ' HD2' ' B' ' 25' ' ' PRO . 0.5 OUTLIER -120.0 159.97 44.83 Favored Pre-proline 0 C--N 1.319 -0.755 0 O-C-N 122.578 -0.366 . . . . 0.0 111.648 -172.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.552 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 19.2 Cg_endo -58.16 135.33 67.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.012 2.475 . . . . 0.0 111.54 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.552 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 53.0 t -91.58 140.76 25.33 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.505 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.552 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.4 Cg_exo -27.36 -53.51 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 126.34 4.693 . . . . 0.0 116.385 -177.812 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.93 -4.38 4.55 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -167.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 32.0 p -135.48 105.4 6.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -81.41 55.98 2.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.111 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 53.91 2.55 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.205 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -125.75 -42.69 1.9 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 116.97 -37.61 3.29 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.193 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.5 m -127.04 170.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.346 -0.502 . . . . 0.0 111.612 -175.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 pt -130.19 160.06 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.904 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.456 HD22 HD23 ' B' ' 44' ' ' LEU . 4.7 mp -86.94 164.51 16.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -170.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 52.7 p -106.0 176.63 5.1 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.345 173.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.23 74.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.327 0.512 . . . . 0.0 111.763 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.36 -41.42 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.42 75.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.671 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.589 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.4 m-85 -70.16 -32.68 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.456 0.169 . . . . 0.0 110.936 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.08 -32.66 70.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.437 0.637 . . . . 0.0 110.683 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.15 -14.39 44.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.712 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -83.03 -40.15 20.3 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.022 178.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.4 -23.39 62.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.331 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HG3' ' A' ' 9' ' ' GLU . 1.5 t80 -73.67 -44.77 55.86 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.426 0.631 . . . . 0.0 110.044 174.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.718 HG21 HG22 ' C' ' 47' ' ' ILE . 18.2 pt -79.51 -27.68 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.489 -173.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.0 mm-40 -55.45 -58.27 8.46 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 121.492 0.663 . . . . 0.0 109.491 166.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.637 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 9.6 ttpt -79.36 -3.53 46.7 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.169 -165.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 47' ' ' ILE . 27.1 m80 -117.33 -0.79 11.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 116.656 -2.017 . . . . 0.0 113.906 169.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.6 mm? -119.15 -32.88 4.3 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.295 0.569 . . . . 0.0 111.424 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -127.07 -30.28 2.71 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.981 -166.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.637 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 6.9 mtmm . . . . . 0 C--O 1.247 0.938 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.786 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -105.99 -5.23 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.58 0.705 . . . . 0.0 110.31 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -128.36 136.96 58.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.624 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.13 149.0 48.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.486 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -63.0 -18.85 63.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.286 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -83.23 -1.13 52.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -101.35 -20.61 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.227 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 7.9 mp -109.21 -11.62 14.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLU . . . . . 0.435 ' HG3' ' CE1' ' A' ' 46' ' ' PHE . 43.3 mt-10 -139.71 143.47 37.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.658 174.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.79 142.5 43.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.183 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.592 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.94 131.53 47.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.044 0.45 . . . . 0.0 109.959 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.909 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 42.3 t -64.93 153.24 89.04 Favored Pre-proline 0 N--CA 1.448 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.361 -168.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.909 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -36.38 -37.85 0.29 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.933 3.089 . . . . 0.0 114.765 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' LYS . . . . . 0.488 ' HD3' HG23 ' C' ' 21' ' ' ILE . 53.7 tttp -143.18 -29.73 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.428 ' HB3' HG12 ' C' ' 21' ' ' ILE . 25.5 p -116.61 44.8 1.94 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -166.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.592 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.13 26.8 2.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.111 0.482 . . . . 0.0 109.988 -175.406 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.434 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.8 ptp180 -148.3 -22.97 0.34 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -164.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -126.61 -39.85 1.97 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.143 -170.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.529 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 94.7 14.26 50.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.073 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -154.76 164.17 39.19 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.488 HG23 ' HD3' ' C' ' 14' ' ' LYS . 9.3 mt -133.47 119.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 57.19 42.05 26.07 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.111 0.882 . . . . 0.0 110.395 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.72 1.69 54.62 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.209 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.593 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.6 OUTLIER -120.74 160.67 43.52 Favored Pre-proline 0 C--N 1.318 -0.777 0 O-C-N 122.702 -0.293 . . . . 0.0 111.659 -174.707 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 25' ' ' PRO . . . . . 0.593 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 18.1 Cg_endo -57.03 137.58 82.57 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.896 2.397 . . . . 0.0 111.463 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.4 t -93.45 140.41 23.17 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.671 -170.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.551 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 61.0 Cg_exo -27.84 -52.01 0.12 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.394 4.729 . . . . 0.0 116.721 -177.55 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.83 -6.16 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -168.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 15.5 p -130.96 99.52 4.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -78.16 55.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.529 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.42 48.48 3.99 Favored Glycine 0 CA--C 1.504 -0.634 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.189 175.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -119.83 -37.85 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.85 -39.29 2.91 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.9 m -126.8 169.25 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.447 -0.443 . . . . 0.0 111.871 -176.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -128.57 161.49 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.831 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -87.7 164.89 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -170.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 45.2 p -105.87 177.93 4.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.355 173.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.36 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.447 0.567 . . . . 0.0 111.839 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.59 -39.81 92.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.44 76.73 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.643 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.629 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.2 m-85 -70.07 -31.16 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.417 0.287 . . . . 0.0 111.083 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 15.3 m -71.8 -32.49 67.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.23 0.538 . . . . 0.0 110.526 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.95 -14.86 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.087 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -81.77 -40.91 21.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.871 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.0 -23.64 63.17 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.363 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 9' ' ' GLU . 1.5 t80 -73.66 -44.52 56.53 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.439 0.637 . . . . 0.0 109.942 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.718 HG22 HG21 ' B' ' 47' ' ' ILE . 18.4 pt -79.62 -28.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.476 -173.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -54.87 -58.74 6.38 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.508 0.67 . . . . 0.0 109.524 166.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.645 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 9.1 ttpt -79.09 -3.35 44.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.412 -164.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.401 ' HB2' HD11 ' B' ' 47' ' ' ILE . 26.5 m80 -117.62 -0.62 11.81 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 116.892 -1.923 . . . . 0.0 113.834 169.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.6 mm? -118.78 -33.19 4.31 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.581 0.628 . . . . 0.0 111.412 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.76 -31.36 2.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.777 -166.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.645 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 7.6 mtmm . . . . . 0 C--O 1.244 0.801 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.728 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.423 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m -106.18 5.89 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 122.166 0.984 . . . . 0.0 108.984 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' A' ' 1' ' ' FME . 16.3 tt -138.92 129.91 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.794 178.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.44 149.25 43.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.91 -15.14 40.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.757 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.57 -7.92 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.7 -15.76 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 111.078 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.1 -16.54 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.044 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' OE2' ' HG ' ' A' ' 36' ' ' LEU . 4.1 mt-10 -140.29 139.59 35.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.38 148.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.55 134.94 55.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.94 170.16 2.83 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.129 0.972 . . . . 0.0 113.505 -171.499 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.681 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 64.1 Cg_exo -47.22 -41.34 27.62 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.179 2.586 . . . . 0.0 113.801 173.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -147.11 -27.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 25.2 p -115.32 42.68 2.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 -168.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.665 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -89.56 26.95 1.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.384 0.611 . . . . 0.0 109.479 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -146.98 -21.16 0.41 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -166.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.69 -33.03 1.09 Allowed 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.656 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 86.48 22.49 47.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.201 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -147.52 159.42 43.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 0.0 111.279 -175.348 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' THR . 36.1 mm -128.07 106.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 173.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 60.41 50.31 6.13 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.616 0.572 . . . . 0.0 111.226 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.94 2.32 8.01 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.767 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -119.82 146.19 41.24 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.569 -0.316 . . . . 0.0 110.793 -168.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -53.99 130.09 37.58 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.128 2.552 . . . . 0.0 112.597 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.97 132.81 49.8 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -30.42 -62.56 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 126.205 4.603 . . . . 0.0 116.632 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.16 -3.0 10.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -164.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 29.1 p -123.24 -2.15 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 118.574 -1.25 . . . . 0.0 112.683 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.3 m 40.18 31.71 0.1 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 96.26 26.75 10.73 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.347 -0.93 . . . . 0.0 114.424 176.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 29' ' ' CYS . 8.0 mtmp? -100.08 -35.82 9.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.329 1.064 . . . . 0.0 110.356 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 111.43 -39.8 2.76 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.41 162.42 10.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 122.764 -0.257 . . . . 0.0 111.26 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.487 HG23 ' SG ' ' A' ' 12' ' ' CYS . 8.5 pt -124.79 158.7 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.491 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' OE2' ' A' ' 9' ' ' GLU . 3.5 mp -87.72 164.29 16.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.49 0.662 . . . . 0.0 112.494 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -105.8 179.65 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.524 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -57.95 -44.5 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.5 0.591 . . . . 0.0 111.212 -178.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -59.88 -44.16 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.653 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.12 72.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.933 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.618 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.8 m-85 -70.11 -32.39 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -70.36 -31.78 69.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.599 0.714 . . . . 0.0 110.059 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.8 -17.1 34.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.259 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -84.42 -43.99 14.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.905 -176.663 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.69 -22.3 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.286 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.1 t80 -75.06 -41.31 59.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.351 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.611 HG21 HG22 ' B' ' 47' ' ' ILE . 20.9 pt -79.82 -29.36 12.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.66 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 76.6 mm-40 -54.12 -58.84 5.83 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.251 0.548 . . . . 0.0 109.954 168.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HA ' ' OXT' ' A' ' 53' ' ' LYS . 19.3 ttmt -76.77 -3.24 37.22 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.862 -164.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -116.95 -2.43 11.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.293 -1.363 . . . . 0.0 113.382 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -120.75 -34.69 3.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.955 -0.466 . . . . 0.0 111.463 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -131.41 -28.49 1.87 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.326 -166.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' OXT' ' HA ' ' A' ' 49' ' ' LYS . 24.7 mtmt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.015 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' FME . . . . . 0.411 ' HG2' ' O ' ' B' ' 3' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m -105.79 7.12 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.129 0.966 . . . . 0.0 108.872 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' B' ' 1' ' ' FME . 16.5 tt -140.05 129.8 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.664 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.91 42.71 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.11 0.481 . . . . 0.0 110.37 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -63.39 -14.22 47.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.75 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -81.06 -9.59 59.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.648 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -103.52 -13.9 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.916 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.03 -16.97 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 0.0 111.08 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.48 ' OE2' ' HG ' ' B' ' 36' ' ' LEU . 4.2 mt-10 -140.11 138.66 35.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.55 0.691 . . . . 0.0 109.316 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.23 147.94 32.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 134.35 53.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.131 0.491 . . . . 0.0 111.008 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.629 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.1 OUTLIER -61.69 171.19 1.48 Allowed Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.355 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 64.8 Cg_exo -47.25 -42.7 27.03 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.271 2.647 . . . . 0.0 113.692 172.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -146.31 -28.46 0.41 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -167.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 31.8 p -114.72 41.54 2.34 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.652 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.93 28.02 1.46 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.223 0.535 . . . . 0.0 109.682 -178.349 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.443 ' H ' ' H ' ' B' ' 18' ' ' ALA . 19.3 ptp180 -147.39 -21.82 0.38 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -166.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.443 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -133.69 -33.37 1.08 Allowed 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.68 -172.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.459 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 86.12 24.18 41.86 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.485 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 1.8 pt-20 -146.55 160.66 41.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.233 0.539 . . . . 0.0 111.309 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.562 ' O ' ' HB ' ' B' ' 24' ' ' THR . 39.7 mm -128.05 106.65 15.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 58.51 54.41 5.52 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.718 0.636 . . . . 0.0 110.738 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 10.18 27.2 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.222 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.562 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -127.88 145.98 57.21 Favored Pre-proline 0 C--N 1.304 -1.397 0 CA-C-N 114.976 -0.612 . . . . 0.0 111.522 -167.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 130.6 39.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.276 2.65 . . . . 0.0 112.372 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.15 132.47 43.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.147 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -29.76 -63.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 1 C-N-CA 126.149 4.566 . . . . 0.0 116.493 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.07 -0.66 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -165.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.463 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 31.2 p -122.61 -2.38 8.9 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.432 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m 37.52 32.99 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 95.37 26.91 11.33 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.385 -0.912 . . . . 0.0 114.399 175.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 29' ' ' CYS . 8.0 mtmp? -100.6 -35.59 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.111 0.955 . . . . 0.0 110.4 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.18 -39.53 2.86 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' B' ' 11' ' ' ALA . 25.1 m -112.43 162.76 10.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 122.708 -0.289 . . . . 0.0 111.197 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.629 HG23 ' SG ' ' B' ' 12' ' ' CYS . 7.1 pt -124.41 158.87 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 3.4 mp -87.83 163.87 16.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.546 0.689 . . . . 0.0 112.351 -172.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.56 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.516 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.423 ' HB1' ' HB3' ' A' ' 1' ' ' FME . . . -56.08 -44.81 79.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.5 0.591 . . . . 0.0 111.433 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -59.91 -44.24 94.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 110.599 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.83 -31.08 72.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.976 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.626 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.5 m-85 -70.12 -32.57 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.154 0.181 . . . . 0.0 111.41 178.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -70.44 -31.71 69.0 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.502 0.668 . . . . 0.0 109.939 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.2 mp -86.64 -16.72 35.76 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.213 -176.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -84.71 -44.01 13.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.074 -176.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.45 -22.47 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.259 0.552 . . . . 0.0 110.206 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -74.9 -41.33 59.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.33 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.624 HG21 HG22 ' C' ' 47' ' ' ILE . 21.6 pt -79.96 -29.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.728 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.1 mm-40 -54.5 -58.76 6.22 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 121.032 0.444 . . . . 0.0 110.053 168.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.511 ' HA ' ' OXT' ' B' ' 53' ' ' LYS . 18.7 ttmt -76.89 -3.39 38.39 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.905 -165.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -117.05 -1.95 11.81 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 118.253 -1.379 . . . . 0.0 113.5 170.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.06 -36.65 3.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 111.577 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASN . . . . . 0.423 ' HB2' HD12 ' C' ' 51' ' ' LEU . 2.3 m-20 -128.45 -29.19 2.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.094 -166.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.511 ' OXT' ' HA ' ' B' ' 49' ' ' LYS . 25.2 mtmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.617 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' FME . . . . . 0.4 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m -105.93 8.45 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.889 0.852 . . . . 0.0 109.041 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.41 129.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.698 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.55 148.99 43.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.084 0.469 . . . . 0.0 110.49 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -61.65 -15.86 43.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.044 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.77 -8.92 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.84 -14.34 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.89 -17.28 12.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 111.035 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLU . . . . . 0.484 ' OE2' ' HG ' ' C' ' 36' ' ' LEU . 4.0 mt-10 -139.75 139.45 36.49 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.96 148.41 31.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.669 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.97 135.23 55.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.073 0.463 . . . . 0.0 110.951 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' C' ' 35' ' ' ILE . 0.1 OUTLIER -61.34 170.95 1.41 Allowed Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -171.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.468 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 65.1 Cg_exo -47.11 -41.61 26.73 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.289 2.659 . . . . 0.0 113.84 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -147.76 -29.64 0.33 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -166.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 15.0 p -115.17 41.65 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -165.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.669 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.41 27.68 1.64 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.305 0.574 . . . . 0.0 109.801 -178.137 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -146.44 -18.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -166.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.06 -34.75 0.79 Allowed 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.673 -171.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.472 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 87.49 22.76 42.42 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.688 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -146.53 159.49 43.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.201 0.501 . . . . 0.0 111.501 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.647 ' O ' ' HB ' ' C' ' 24' ' ' THR . 37.1 mm -127.14 105.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.07 54.02 5.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.567 0.542 . . . . 0.0 110.838 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 9.77 26.24 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.1 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.9 m -126.98 144.25 49.68 Favored Pre-proline 0 C--N 1.303 -1.421 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.971 -166.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.23 130.38 39.41 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.261 2.641 . . . . 0.0 112.43 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.29 133.51 42.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -169.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -30.63 -63.59 0.1 Allowed 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 126.056 4.504 . . . . 0.0 116.494 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.7 -1.26 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -164.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.486 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 30.8 p -122.31 -2.33 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.569 -1.253 . . . . 0.0 112.555 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m 40.29 30.24 0.07 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.3 31.49 7.95 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.459 -0.876 . . . . 0.0 114.089 176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' C' ' 29' ' ' CYS . 7.8 mtmp? -103.67 -36.29 7.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 117.794 0.797 . . . . 0.0 110.357 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.63 -39.46 2.88 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -176.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -112.89 162.32 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 122.634 -0.333 . . . . 0.0 111.295 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.596 HG23 ' SG ' ' C' ' 12' ' ' CYS . 7.4 pt -124.71 158.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.481 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' OE2' ' C' ' 9' ' ' GLU . 3.5 mp -87.98 164.32 15.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.579 0.704 . . . . 0.0 112.574 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 80.7 p -105.82 178.48 4.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.561 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.98 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.529 0.604 . . . . 0.0 111.271 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -59.4 -45.6 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.616 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.76 -31.04 75.07 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.939 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.62 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.4 m-85 -70.55 -31.04 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -71.14 -32.15 68.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.584 0.707 . . . . 0.0 110.013 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.38 -17.46 34.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -83.97 -43.85 14.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.148 -176.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -71.65 -22.38 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.277 0.561 . . . . 0.0 110.159 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.484 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.8 t80 -75.05 -41.3 59.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.283 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.624 HG22 HG21 ' B' ' 47' ' ' ILE . 21.0 pt -79.99 -28.75 12.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.712 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 77.4 mm-40 -54.87 -58.63 6.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 121.132 0.492 . . . . 0.0 110.069 168.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.46 ' HA ' ' OXT' ' C' ' 53' ' ' LYS . 18.6 ttmt -77.03 -3.31 38.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.964 -165.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -116.87 -2.54 11.79 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.232 -1.387 . . . . 0.0 113.296 170.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.6 mm? -120.84 -36.13 3.22 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.184 0.516 . . . . 0.0 111.629 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -129.53 -28.17 2.31 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.227 -166.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.46 ' OXT' ' HA ' ' C' ' 49' ' ' LYS . 24.3 mtmt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.419 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.17 3.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.664 0.745 . . . . 0.0 109.888 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.8 140.58 42.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.744 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.83 7.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.179 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -60.64 -23.05 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.78 -5.01 56.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -101.73 4.88 41.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 110.669 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.7 mt -131.69 -33.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -135.87 143.53 45.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.17 141.99 44.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.182 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.91 132.93 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.11 0.481 . . . . 0.0 111.425 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.788 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.4 t -66.21 162.87 43.77 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.404 1.082 . . . . 0.0 111.626 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.788 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 42.4 Cg_exo -41.41 -40.68 4.89 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.622 2.881 . . . . 0.0 116.066 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 21' ' ' ILE . 64.3 tttp -143.56 -36.73 0.36 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -156.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -115.74 34.11 5.12 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 120.268 1.394 . . . . 0.0 112.649 -161.085 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.778 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 13.4 mm-40 -98.62 42.6 1.09 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.19 1.472 . . . . 0.0 108.875 -164.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -147.1 -27.31 0.39 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.37 -2.65 . . . . 0.0 106.564 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.88 -35.95 3.77 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.42 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.85 19.84 55.14 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.55 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 5.3 pt-20 -158.76 156.21 29.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.585 ' O ' ' HB ' ' A' ' 24' ' ' THR . 51.7 mt -128.14 113.23 29.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 58.58 45.31 16.38 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.758 0.661 . . . . 0.0 111.563 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.89 8.6 35.46 Favored Glycine 0 CA--C 1.503 -0.673 0 C-N-CA 119.85 -1.166 . . . . 0.0 111.991 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -120.25 146.91 43.73 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.107 -0.546 . . . . 0.0 111.616 -173.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.58 137.8 73.94 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.307 2.671 . . . . 0.0 111.838 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.1 t -89.05 131.4 41.18 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.368 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD2' HD12 ' A' ' 21' ' ' ILE . 44.0 Cg_exo -38.5 -52.73 1.94 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 125.234 3.956 . . . . 0.0 115.373 -172.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.45 -15.71 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.847 -167.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 24.3 p -135.87 111.74 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.645 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -82.53 49.72 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.35 60.21 1.12 Allowed Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.075 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' B' ' 49' ' ' LYS . 51.6 mttm -123.66 -50.87 1.84 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.38 0.609 . . . . 0.0 109.433 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.598 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . 120.97 -36.15 3.43 Favored Glycine 0 N--CA 1.434 -1.497 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -167.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.12 165.68 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.279 -1.13 . . . . 0.0 113.323 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 pt -124.02 169.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.687 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD22 HD23 ' A' ' 44' ' ' LEU . 2.6 mp -87.4 153.59 21.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -107.18 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.28 64.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -52.08 -48.76 64.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.225 0.536 . . . . 0.0 110.518 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.23 -29.02 73.09 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.798 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -69.11 -35.81 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.569 -0.371 . . . . 0.0 111.661 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -69.98 -30.44 67.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.616 0.722 . . . . 0.0 110.144 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.5 -17.72 33.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.622 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -80.54 -42.98 21.44 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.957 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.5 -22.88 62.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.708 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 71.0 t80 -76.2 -41.06 50.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.395 174.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.625 HG22 HG21 ' C' ' 47' ' ' ILE . 20.2 pt -79.98 -28.23 12.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.393 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.2 mm-40 -55.45 -57.03 13.59 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.675 0.75 . . . . 0.0 109.232 165.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.8 ttmt -78.32 -7.12 56.88 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.245 -1.343 . . . . 0.0 112.962 -163.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.53 -0.9 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 117.778 -1.569 . . . . 0.0 114.142 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.4 mm? -117.96 -42.27 2.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.478 0.656 . . . . 0.0 110.874 171.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -116.63 -31.91 5.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.199 -165.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.1 mtmt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.377 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' FME . . . . . 0.431 ' SD ' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.64 6.18 9.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.689 0.756 . . . . 0.0 109.82 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -139.37 140.69 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.765 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.16 171.4 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.256 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.19 -23.43 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.458 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.03 -4.36 54.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -101.4 2.05 39.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.486 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.5 mt -128.67 -34.1 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.924 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -135.58 142.43 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.429 0.633 . . . . 0.0 110.884 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.26 141.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 131.83 47.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.232 0.539 . . . . 0.0 111.189 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.844 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 1.7 t -65.49 163.56 32.49 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.754 1.221 . . . . 0.0 112.093 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.844 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -41.47 -42.31 5.62 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.518 2.812 . . . . 0.0 116.221 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.463 ' HD3' HG23 ' B' ' 21' ' ' ILE . 65.4 tttp -144.8 -34.42 0.36 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -156.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.73 ' HB2' ' O ' ' B' ' 20' ' ' GLU . 0.8 OUTLIER -114.79 33.01 5.62 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 120.466 1.484 . . . . 0.0 113.017 -161.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.783 ' CD ' ' HB3' ' B' ' 12' ' ' CYS . 13.3 mm-40 -100.54 42.65 1.1 Allowed 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 123.461 1.601 . . . . 0.0 109.258 -163.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' B' ' 18' ' ' ALA . 2.9 ptm180 -147.21 -24.37 0.39 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.42 -2.627 . . . . 0.0 106.782 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -120.45 -36.43 3.21 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.532 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.14 57.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.989 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.73 ' O ' ' HB2' ' B' ' 15' ' ' CYS . 6.4 pt-20 -155.17 157.05 36.8 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.271 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.612 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 41.4 mt -129.84 113.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 57.41 46.42 18.23 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.056 0.848 . . . . 0.0 111.369 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' HA2' ' OE1' ' B' ' 20' ' ' GLU . . . 63.92 12.12 47.15 Favored Glycine 0 CA--C 1.507 -0.435 0 C-N-CA 119.864 -1.16 . . . . 0.0 112.006 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -124.77 144.72 47.49 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 114.706 -0.747 . . . . 0.0 111.425 -171.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.49 134.01 55.82 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.379 2.72 . . . . 0.0 112.059 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 42.8 t -84.39 131.08 51.47 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.484 -171.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -38.02 -54.11 1.44 Allowed 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 124.943 3.762 . . . . 0.0 115.424 -174.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 -15.41 14.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.35 -168.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 15.7 p -137.47 114.23 10.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -82.11 48.31 1.23 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.61 61.39 1.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.424 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.43 ' HD3' ' HG2' ' C' ' 49' ' ' LYS . 51.6 mttm -123.83 -50.52 1.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.502 0.668 . . . . 0.0 109.226 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.614 ' O ' ' HB3' ' B' ' 16' ' ' GLU . . . 120.77 -36.39 3.37 Favored Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -167.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -130.09 165.63 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 121.234 -1.156 . . . . 0.0 113.421 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 pt -123.93 169.66 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.756 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.464 HD22 HD23 ' B' ' 44' ' ' LEU . 2.6 mp -87.77 153.0 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -172.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -107.02 176.81 5.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.89 -48.02 67.48 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -51.99 -49.13 63.89 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.261 0.553 . . . . 0.0 110.643 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.29 -28.99 73.04 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.914 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -69.14 -35.4 76.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.517 -0.402 . . . . 0.0 111.702 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.631 0.729 . . . . 0.0 110.203 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -86.15 -17.84 33.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.587 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -80.44 -43.04 21.61 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.098 -179.412 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.51 -22.76 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 110.607 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.431 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 72.0 t80 -76.12 -41.35 50.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.601 HG22 HG21 ' A' ' 47' ' ' ILE . 19.8 pt -79.83 -28.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.416 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.8 mm-40 -55.93 -56.18 23.79 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 166.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.509 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.5 ttmt -78.52 -7.61 57.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.864 -163.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.36 -1.08 11.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 117.69 -1.604 . . . . 0.0 114.297 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.4 mm? -117.26 -43.42 2.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.541 0.686 . . . . 0.0 110.549 170.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.3 -33.74 5.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.114 -165.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--O 1.244 0.767 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.693 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.95 2.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.782 0.801 . . . . 0.0 110.023 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -136.08 140.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.822 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 172.65 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.383 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -61.24 -23.92 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.202 0.525 . . . . 0.0 110.881 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.18 -3.68 52.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.013 -174.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.48 2.98 39.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.981 0.42 . . . . 0.0 110.419 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.85 -34.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.83 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -135.57 143.79 45.84 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.735 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.76 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.075 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 133.92 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.177 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.839 ' HB3' ' CD ' ' C' ' 16' ' ' GLU . 2.6 t -65.13 163.12 33.32 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.434 1.094 . . . . 0.0 111.684 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.815 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 31.8 Cg_exo -41.45 -42.28 5.57 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.518 2.812 . . . . 0.0 116.029 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' LYS . . . . . 0.476 ' HD3' HG23 ' C' ' 21' ' ' ILE . 65.3 tttp -143.21 -35.9 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 -156.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.72 ' HB2' ' O ' ' C' ' 20' ' ' GLU . 1.1 p -115.21 34.06 5.09 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 120.606 1.548 . . . . 0.0 112.912 -160.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.839 ' CD ' ' HB3' ' C' ' 12' ' ' CYS . 12.5 mm-40 -99.91 43.52 1.06 Allowed 'General case' 0 C--N 1.28 -2.445 0 CA-C-O 123.255 1.502 . . . . 0.0 109.042 -163.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -147.24 -26.16 0.39 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 111.563 -2.562 . . . . 0.0 106.689 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.34 -35.91 3.48 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.608 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.85 17.43 56.44 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.076 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.72 ' O ' ' HB2' ' C' ' 15' ' ' CYS . 4.4 pt-20 -155.76 157.48 36.6 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.112 0.482 . . . . 0.0 110.419 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.627 ' O ' ' HB ' ' C' ' 24' ' ' THR . 38.3 mt -129.53 112.82 25.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 57.79 47.76 14.9 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.077 0.86 . . . . 0.0 111.257 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 11.05 41.43 Favored Glycine 0 CA--C 1.508 -0.4 0 C-N-CA 120.311 -0.947 . . . . 0.0 111.903 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.3 m -123.97 144.14 44.25 Favored Pre-proline 0 C--N 1.308 -1.218 0 CA-C-N 114.736 -0.732 . . . . 0.0 111.294 -170.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -53.89 135.55 63.51 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.084 2.523 . . . . 0.0 111.958 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.3 t -87.32 130.09 48.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.77 -170.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -36.89 -52.66 1.27 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 125.219 3.946 . . . . 0.0 115.657 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.15 -18.91 13.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.214 -168.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 31.5 p -131.59 107.56 8.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -80.59 54.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.091 0.472 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 57.59 1.63 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.518 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -122.13 -49.39 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.466 0.65 . . . . 0.0 109.755 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.593 ' O ' ' HB3' ' C' ' 16' ' ' GLU . . . 120.03 -36.41 3.45 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.99 166.07 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.305 -1.115 . . . . 0.0 113.118 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 29.6 pt -123.98 170.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.654 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.46 HD22 HD23 ' C' ' 44' ' ' LEU . 2.6 mp -87.79 153.66 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.516 0.674 . . . . 0.0 112.798 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -107.38 176.37 5.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.188 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' ALA . . . . . 0.431 ' HB1' ' SD ' ' B' ' 1' ' ' FME . . . -51.92 -49.02 63.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -51.51 -48.94 62.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.202 0.525 . . . . 0.0 110.417 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.29 -29.48 73.2 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.84 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.581 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.9 m-85 -69.05 -35.24 76.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.56 -0.376 . . . . 0.0 111.59 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.4 m -70.41 -31.01 68.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.627 0.727 . . . . 0.0 110.217 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -86.28 -17.46 34.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.544 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -80.52 -43.09 21.32 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.997 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.6 -22.7 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.632 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.426 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 71.7 t80 -76.06 -41.37 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.514 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.625 HG21 HG22 ' A' ' 47' ' ' ILE . 20.4 pt -79.75 -28.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.442 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.4 mm-40 -55.82 -56.26 22.69 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.688 0.756 . . . . 0.0 109.296 166.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.512 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 31.7 ttmt -78.2 -8.58 58.5 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.852 -163.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.86 -1.26 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.718 -1.593 . . . . 0.0 114.18 173.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.4 mm? -117.08 -42.39 2.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.771 170.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -116.09 -32.82 5.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.141 -165.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.5 mtmt . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.887 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.73 -14.67 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.198 0.523 . . . . 0.0 110.805 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.12 135.98 54.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 148.41 46.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.861 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -12.9 58.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.452 -175.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.28 -3.54 52.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -103.81 -16.31 15.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.67 -22.57 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.402 . . . . 0.0 111.205 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -126.05 127.05 45.24 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.407 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.57 141.6 44.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.853 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.597 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.02 130.04 42.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.0 110.677 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.886 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 43.6 t -63.61 158.84 56.76 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -169.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.886 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 33.4 Cg_exo -37.98 -39.43 0.89 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.427 2.751 . . . . 0.0 115.171 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -145.88 -26.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 15.2 p -118.66 47.26 1.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -172.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.58 23.75 2.91 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 122.185 -0.322 . . . . 0.0 111.465 -175.106 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -15.63 0.36 Allowed 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.63 -39.85 3.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.094 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.29 15.67 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.486 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.2 pt-20 -155.54 161.77 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.649 -0.324 . . . . 0.0 110.357 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.33 121.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 55.36 42.03 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.76 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.04 10.81 7.45 Favored Glycine 0 CA--C 1.51 -0.257 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.857 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.77 145.41 39.33 Favored Pre-proline 0 N--CA 1.437 -1.111 0 C-N-CA 122.836 0.454 . . . . 0.0 110.444 -172.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.98 126.08 21.07 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.09 2.527 . . . . 0.0 112.291 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -78.28 136.42 60.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.064 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -27.47 -57.34 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.987 1 C-N-CA 126.524 4.816 . . . . 0.0 116.631 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.05 -7.1 7.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.13 0.49 . . . . 0.0 111.823 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -131.53 93.41 3.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 p -75.93 53.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.2 0.524 . . . . 0.0 112.076 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 97.07 47.89 2.16 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.341 173.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -116.0 -47.63 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.773 0.796 . . . . 0.0 108.919 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 119.22 -39.2 2.59 Favored Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.74 161.11 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.819 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 pt -124.93 169.62 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.937 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 2.9 mp -88.46 161.74 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -174.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.3 p -105.74 -177.09 3.26 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.288 172.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.7 89.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.739 0.7 . . . . 0.0 111.269 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.18 -39.11 85.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.423 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.78 73.67 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.823 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.642 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.7 m-85 -69.96 -34.1 72.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.4 m -69.84 -31.87 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.465 0.65 . . . . 0.0 110.377 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.1 mp -85.48 -21.48 28.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.834 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.68 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -78.32 -44.96 23.84 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.681 -176.607 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.48 -21.26 61.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.486 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 63.7 t80 -75.75 -43.34 47.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.24 173.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.566 HG22 HG21 ' C' ' 47' ' ' ILE . 18.6 pt -79.47 -26.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.312 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.3 mm-40 -57.87 -59.06 5.82 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 165.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -77.54 -3.97 43.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.364 -165.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -116.8 -1.85 11.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 118.147 -1.421 . . . . 0.0 113.767 169.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.5 mm? -120.67 -55.46 2.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.376 0.608 . . . . 0.0 111.027 172.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -106.39 -22.97 12.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.866 -168.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 19.3 mtmt . . . . . 0 C--O 1.245 0.85 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -105.39 -14.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.296 0.57 . . . . 0.0 110.789 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.72 135.74 56.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.696 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.32 45.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -14.49 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.406 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.51 -2.71 50.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.325 -176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -104.16 -17.55 14.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.31 -22.36 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 111.285 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -125.95 127.75 46.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.436 176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.07 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.942 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.582 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.43 129.71 41.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.934 0.397 . . . . 0.0 110.558 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.926 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 44.2 t -64.58 158.06 69.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.808 0.843 . . . . 0.0 113.198 -168.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.926 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 33.9 Cg_exo -37.33 -37.17 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.515 2.81 . . . . 0.0 115.696 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -148.66 -24.99 0.32 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -166.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.59 44.46 2.27 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -171.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.593 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.14 22.95 3.03 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 122.34 -0.225 . . . . 0.0 111.247 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.438 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -147.52 -15.7 0.38 Allowed 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -176.511 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.438 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -114.94 -37.85 4.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.286 -174.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 87.36 15.92 61.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.308 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -156.58 160.96 39.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 13.7 mt -141.69 123.15 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 53.7 42.06 31.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.714 0.634 . . . . 0.0 110.878 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.99 13.58 8.83 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.727 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.9 144.81 41.94 Favored Pre-proline 0 N--CA 1.433 -1.294 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.723 -173.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.78 124.22 15.72 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.099 2.532 . . . . 0.0 112.033 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 44.1 t -77.15 136.59 65.49 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.818 -169.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -28.21 -56.25 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.046 1 C-N-CA 126.412 4.741 . . . . 0.0 116.582 -177.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.13 -6.92 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -168.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.1 p -130.31 93.61 3.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -76.17 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.289 0.566 . . . . 0.0 111.953 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 96.66 50.85 1.76 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.975 174.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -119.02 -47.23 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.593 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 119.04 -38.82 2.72 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.4 161.75 12.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.168 0.509 . . . . 0.0 111.869 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.41 169.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.012 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.465 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 2.8 mp -88.29 160.96 17.42 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -105.45 -176.44 3.08 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.245 173.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.66 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.766 0.712 . . . . 0.0 111.161 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.19 -40.07 88.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 110.448 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.41 -32.64 75.79 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.787 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.621 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.3 m-85 -70.22 -33.06 71.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -70.3 -32.39 70.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.526 0.679 . . . . 0.0 110.421 176.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.432 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.1 mp -85.37 -21.15 28.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.92 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -78.52 -44.47 24.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.714 -176.602 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.47 -21.77 61.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.479 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.442 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -75.57 -42.92 50.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.214 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.564 HG22 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.53 -26.59 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.317 -176.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 85.2 mm-40 -57.54 -59.22 5.49 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 165.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 2.4 ttmp? -77.59 -4.0 43.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.349 -164.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.65 -1.49 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.124 -1.431 . . . . 0.0 113.789 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.5 mm? -120.63 -56.56 1.95 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.45 0.643 . . . . 0.0 110.857 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' B' ' 52' ' ' ASN . 0.3 OUTLIER -105.98 -21.99 13.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.748 -167.538 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.096 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.53 -11.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.519 0.676 . . . . 0.0 110.873 -175.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -119.94 135.26 60.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.32 44.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.721 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -12.87 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.501 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.46 -6.39 58.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.166 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -103.38 -14.73 16.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.2 -22.25 9.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.088 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -126.23 128.25 46.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.29 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -126.51 141.89 44.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.93 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.588 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.31 129.52 40.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.486 -178.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.923 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 53.3 t -63.23 158.77 53.97 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.689 -169.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.923 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 34.0 Cg_exo -37.52 -39.07 0.64 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.515 2.81 . . . . 0.0 115.005 177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -146.28 -26.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -165.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.478 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 27.8 p -117.75 43.97 2.27 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -169.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.588 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.31 22.45 3.34 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -172.515 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -147.02 -10.29 0.44 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -176.057 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -120.4 -41.42 2.61 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.894 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.452 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.16 16.38 55.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.779 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.58 161.82 40.77 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.676 -0.308 . . . . 0.0 110.304 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 13.0 mt -142.29 122.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 55.47 41.1 31.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.774 -174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.77 11.11 9.67 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.689 -176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 144.45 37.19 Favored Pre-proline 0 N--CA 1.435 -1.219 0 CA-C-N 115.228 -0.486 . . . . 0.0 110.305 -172.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.58 128.17 29.23 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.066 2.511 . . . . 0.0 112.059 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 35.4 t -79.83 135.24 55.88 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.639 -169.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 62.7 Cg_exo -28.49 -55.19 0.14 Allowed 'Trans proline' 0 C--N 1.357 0.985 1 C-N-CA 126.326 4.684 . . . . 0.0 117.029 -176.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.8 -8.52 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.084 0.468 . . . . 0.0 111.636 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 29.3 p -130.14 91.24 3.08 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.5 p -74.3 53.12 0.5 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 96.9 49.21 1.96 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.012 174.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -117.88 -46.28 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.84 -39.27 2.66 Favored Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -172.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.91 161.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.059 0.457 . . . . 0.0 111.934 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 21.5 pt -124.93 169.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.943 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.445 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mp -88.38 161.22 17.21 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -105.6 -178.6 3.7 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.33 172.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.57 82.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.676 0.671 . . . . 0.0 111.487 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.97 -40.07 87.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.826 0.346 . . . . 0.0 110.436 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.51 75.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.835 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.641 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.7 m-85 -69.91 -34.49 73.57 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.291 0.236 . . . . 0.0 111.486 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -69.69 -32.0 70.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.501 0.667 . . . . 0.0 110.382 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.44 ' O ' HG12 ' C' ' 47' ' ' ILE . 6.3 mp -85.38 -21.43 28.85 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.911 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.659 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -78.34 -44.71 24.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.745 -176.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.61 -21.28 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.497 . . . . 0.0 110.535 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.465 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.5 t80 -75.83 -43.41 46.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.257 173.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.566 HG21 HG22 ' A' ' 47' ' ' ILE . 18.4 pt -79.3 -26.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.279 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -57.64 -59.22 5.53 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 165.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.4 ttmp? -77.61 -3.69 42.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.303 -165.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -116.76 -1.21 12.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 118.278 -1.369 . . . . 0.0 113.752 169.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.4 mm? -122.0 -55.88 1.86 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.365 0.603 . . . . 0.0 110.901 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ASN . . . . . 0.469 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -106.26 -21.32 13.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.982 -167.611 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.291 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.499 ' SD ' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -106.27 1.51 10.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.692 0.758 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.452 HG22 ' HG3' ' B' ' 39' ' ' GLN . 14.3 tt -126.64 137.09 58.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.679 -177.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.66 145.25 49.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -62.27 -15.9 50.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.694 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.35 -2.04 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.496 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.3 -15.69 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.04 -13.56 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -132.26 133.74 44.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.156 173.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.51 140.27 49.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.35 136.12 56.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.883 0.373 . . . . 0.0 110.504 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.1 m -60.14 171.33 0.95 Allowed Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -45.56 -42.69 18.49 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.405 2.736 . . . . 0.0 113.522 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE2' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -162.84 -1.22 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -173.41 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.5 p -115.52 39.3 3.01 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 117.673 -1.611 . . . . 0.0 114.023 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -91.36 35.98 0.93 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.652 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.83 -16.75 0.41 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.07 -26.27 2.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.396 -170.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 78.05 33.8 39.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 114.222 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.91 160.15 43.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.31 0.555 . . . . 0.0 111.492 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.464 ' O ' ' HB ' ' A' ' 24' ' ' THR . 33.3 mm -123.37 99.93 7.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 63.69 51.85 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.756 0.66 . . . . 0.0 111.288 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.54 6.51 6.29 Favored Glycine 0 CA--C 1.51 -0.232 0 C-N-CA 120.283 -0.96 . . . . 0.0 112.757 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -119.42 146.13 40.35 Favored Pre-proline 0 N--CA 1.438 -1.065 0 CA-C-N 115.602 -0.299 . . . . 0.0 110.358 -171.351 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.24 129.7 35.91 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.427 2.752 . . . . 0.0 112.468 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 47.7 t -83.05 136.59 43.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.148 -172.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 54.1 Cg_exo -32.17 -57.57 0.26 Allowed 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 125.586 4.191 . . . . 0.0 115.861 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.49 -8.88 9.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 111.981 -167.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 14.5 p -129.07 95.22 4.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -75.3 51.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 96.53 50.5 1.83 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.828 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -118.28 -47.04 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 118.53 -38.05 3.02 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -172.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -117.75 164.58 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 111.439 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.582 HG23 ' SG ' ' A' ' 12' ' ' CYS . 11.4 pt -125.12 166.65 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.005 173.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' B' ' 50' ' ' HIS . 4.5 mp -88.51 163.87 15.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.51 0.672 . . . . 0.0 112.506 -174.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.417 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 82.7 p -105.44 177.15 4.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.371 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.571 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -56.73 -44.8 81.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.596 0.634 . . . . 0.0 111.546 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' C' ' 3' ' ' ILE . 53.6 tt0 -61.02 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.891 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.99 75.17 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.882 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.618 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.2 m-85 -70.2 -33.66 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.541 0.21 . . . . 0.0 111.227 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.1 m -68.94 -31.94 71.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.532 0.682 . . . . 0.0 110.054 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.4 -11.09 50.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -87.64 -43.34 12.03 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.154 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.38 -23.71 61.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.148 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -74.02 -41.78 61.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.147 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.644 HG22 HG21 ' C' ' 47' ' ' ILE . 18.8 pt -79.55 -27.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.984 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.4 mm-40 -55.03 -58.66 6.74 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.476 0.655 . . . . 0.0 109.866 168.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 32.4 ttmt -78.51 -2.24 37.71 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.858 -1.065 . . . . 0.0 113.107 -164.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.421 ' CE1' HD21 ' C' ' 36' ' ' LEU . 22.0 m80 -117.57 -2.71 11.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 117.797 -1.561 . . . . 0.0 113.904 170.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.6 mm? -118.49 -38.99 3.06 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 173.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -122.35 -30.18 4.01 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.045 -166.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 26.2 mtmt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.316 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' FME . . . . . 0.537 ' SD ' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.73 1.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 0.0 109.782 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.401 HG22 ' HG3' ' C' ' 39' ' ' GLN . 14.6 tt -127.74 137.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.754 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.69 146.19 48.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -62.18 -16.7 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.185 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.88 -1.27 51.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.53 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.28 -17.09 14.97 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.67 -13.62 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.39 133.58 44.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.7 141.06 47.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.086 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.584 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 135.14 55.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.286 0.565 . . . . 0.0 110.536 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.518 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -60.55 172.28 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -171.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 56.3 Cg_exo -46.69 -42.81 23.9 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.989 2.459 . . . . 0.0 113.182 172.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.46 0.71 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 21.0 p -116.4 41.8 2.56 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.713 1.597 . . . . 0.0 113.795 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.584 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.5 OUTLIER -90.71 36.74 0.9 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.747 -176.483 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.62 -19.16 0.37 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.12 -24.41 3.43 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.485 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 76.55 34.72 43.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.687 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 8.1 pt-20 -153.23 159.96 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.505 0.669 . . . . 0.0 111.427 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.473 ' O ' ' HB ' ' B' ' 24' ' ' THR . 35.3 mm -123.06 99.73 7.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 64.13 51.02 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.766 0.666 . . . . 0.0 111.321 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.72 7.16 7.48 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.82 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -119.84 146.79 42.67 Favored Pre-proline 0 N--CA 1.438 -1.033 0 C-N-CA 122.426 0.29 . . . . 0.0 110.386 -172.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.55 129.23 33.77 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.319 2.679 . . . . 0.0 112.727 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.0 t -82.54 136.51 45.47 Favored Pre-proline 0 N--CA 1.446 -0.667 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.0 Cg_exo -32.14 -57.18 0.27 Allowed 'Trans proline' 0 C--N 1.356 0.974 1 C-N-CA 125.789 4.326 . . . . 0.0 116.137 -178.238 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.55 -8.29 9.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.166 0.508 . . . . 0.0 111.763 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 31.5 p -130.12 95.94 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -75.75 51.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.485 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 97.85 50.28 1.66 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.251 174.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -118.43 -46.15 2.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.627 0.727 . . . . 0.0 109.21 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.59 -38.46 2.95 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -171.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.1 m -117.25 164.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.986 0.422 . . . . 0.0 111.743 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 12.4 pt -125.21 166.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.985 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.431 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -88.17 164.23 15.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.506 0.67 . . . . 0.0 112.48 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.419 ' O ' ' HD1' ' B' ' 41' ' ' TYR . 81.1 p -105.83 177.23 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.459 173.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.499 ' HB1' ' SD ' ' A' ' 1' ' ' FME . . . -56.44 -45.06 80.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.48 0.582 . . . . 0.0 111.408 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.452 ' HG3' HG22 ' A' ' 3' ' ' ILE . 53.7 tt0 -60.76 -44.14 97.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.986 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.7 75.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.891 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.612 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.4 m-85 -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.57 0.224 . . . . 0.0 111.19 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -68.78 -32.31 71.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.02 -12.44 47.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.55 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -86.37 -43.52 12.79 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.237 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.31 -23.11 61.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.285 0.564 . . . . 0.0 110.105 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -74.16 -42.05 60.56 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.286 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.51 -28.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.844 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.6 mm-40 -55.06 -56.74 16.4 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.448 0.642 . . . . 0.0 109.731 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 33.4 ttmt -77.54 -5.87 51.63 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.632 -1.167 . . . . 0.0 113.004 -164.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.418 ' CE1' HD21 ' A' ' 36' ' ' LEU . 21.9 m80 -116.44 -2.45 12.04 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.659 172.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.5 mm? -119.12 -37.68 3.17 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -122.62 -33.16 3.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.012 -166.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.47 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.9 mtmt . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' FME . . . . . 0.571 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -106.25 1.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.62 0.724 . . . . 0.0 109.91 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.409 HG22 ' HG3' ' A' ' 39' ' ' GLN . 14.4 tt -126.43 137.13 58.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.46 145.68 48.64 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 -16.36 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.9 -0.71 49.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.698 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.06 -16.95 15.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.73 -13.81 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.107 0.48 . . . . 0.0 110.479 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -132.57 132.97 43.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.193 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.2 141.23 46.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.585 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.29 134.95 55.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.856 0.36 . . . . 0.0 110.617 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.0 OUTLIER -58.13 171.84 0.53 Allowed Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 124.413 1.085 . . . . 0.0 113.508 -172.018 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.565 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 55.5 Cg_exo -46.96 -42.47 25.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.169 2.579 . . . . 0.0 113.576 171.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.4 -0.9 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -172.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 7.3 p -116.61 43.47 2.22 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.307 -1.496 . . . . 0.0 113.296 176.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.585 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -91.34 36.09 0.93 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.623 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -18.41 0.4 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.56 -25.31 3.17 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -171.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.428 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 78.79 32.1 42.01 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.994 -1.098 . . . . 0.0 114.066 177.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.7 pt-20 -152.28 160.0 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 111.413 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.541 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.0 mm -123.0 99.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 175.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 62.94 51.54 2.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.644 0.59 . . . . 0.0 111.421 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.18 9.17 10.42 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.507 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.13 145.97 43.19 Favored Pre-proline 0 N--CA 1.437 -1.088 0 CA-C-N 115.551 -0.325 . . . . 0.0 110.452 -173.125 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.46 126.62 22.9 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.289 2.659 . . . . 0.0 113.123 -176.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 50.0 t -78.32 135.24 61.72 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.497 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -31.62 -57.34 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 125.945 4.43 . . . . 0.0 116.015 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 -7.84 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -167.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.7 p -130.28 96.65 4.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.9 p -74.62 50.29 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.428 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 98.2 48.47 1.87 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.244 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -116.9 -45.17 2.78 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 109.25 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.53 -39.05 2.75 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 -172.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -116.14 164.71 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -125.5 166.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.779 173.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.424 HD22 HD23 ' C' ' 44' ' ' LEU . 4.5 mp -88.36 163.88 15.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.376 0.608 . . . . 0.0 112.398 -174.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' THR . . . . . 0.417 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 71.0 p -105.68 175.95 5.33 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' ALA . . . . . 0.537 ' HB1' ' SD ' ' B' ' 1' ' ' FME . . . -54.2 -46.35 72.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.378 0.535 . . . . 0.0 111.72 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 39' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' B' ' 3' ' ' ILE . 53.6 tt0 -60.8 -43.53 98.02 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.981 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.4 -30.02 75.86 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.85 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.616 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.7 m-85 -70.4 -33.84 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.274 0.23 . . . . 0.0 111.143 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -68.52 -32.25 72.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.56 0.695 . . . . 0.0 110.008 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -87.21 -12.21 47.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.575 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -86.52 -43.43 12.74 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.073 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.25 -23.55 62.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.285 0.564 . . . . 0.0 110.195 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -74.18 -42.03 60.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.284 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.644 HG21 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.53 -27.64 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.866 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.7 mm-40 -55.22 -56.62 17.92 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.425 0.631 . . . . 0.0 109.571 168.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.492 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 32.8 ttmt -77.57 -6.36 53.42 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.915 -163.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.404 ' CE1' HD21 ' B' ' 36' ' ' LEU . 22.0 m80 -116.52 -2.56 11.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 117.968 -1.493 . . . . 0.0 113.818 172.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.5 mm? -118.52 -36.02 3.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.537 0.684 . . . . 0.0 111.111 173.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -125.74 -32.33 2.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.051 -165.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 21.7 mtmt . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.672 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.51 -3.39 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.517 0.675 . . . . 0.0 110.681 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.21 131.59 71.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.118 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 148.62 44.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -64.03 -15.13 58.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.21 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.28 -4.35 57.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.434 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.5 -15.68 15.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.951 0.405 . . . . 0.0 110.621 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.95 -17.64 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.151 0.5 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.73 131.65 37.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.836 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.56 141.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.664 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.92 131.35 47.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.193 0.52 . . . . 0.0 110.668 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.814 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.6 164.57 6.95 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.903 -169.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.814 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 66.6 Cg_exo -48.21 -33.18 21.05 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.208 2.605 . . . . 0.0 114.306 175.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -149.04 -28.96 0.27 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -115.7 44.74 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -169.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.664 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 27.76 1.82 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -148.98 -20.7 0.3 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -164.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.58 -34.31 0.77 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.674 -172.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.47 19.13 46.33 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.217 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.6 pt-20 -158.4 166.63 31.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 110.732 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 24' ' ' THR . 32.0 mm -124.2 110.27 25.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.24 49.94 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.83 1.54 18.51 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.189 -0.529 . . . . 0.0 114.1 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -121.69 158.29 54.62 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 117.236 0.518 . . . . 0.0 110.942 -174.379 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.606 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.9 Cg_endo -57.46 139.49 90.32 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.283 2.655 . . . . 0.0 112.934 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' HB2' HG12 ' A' ' 21' ' ' ILE . 49.8 t -93.2 137.35 23.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.612 -174.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -29.55 -51.96 0.18 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.234 4.623 . . . . 0.0 116.768 -177.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 -6.33 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -168.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 21.0 p -130.75 100.92 5.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -77.04 50.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.94 44.74 3.52 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.92 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' HD3' ' B' ' 49' ' ' LYS . 42.7 mttm -108.68 -44.06 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.795 0.807 . . . . 0.0 108.829 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.0 2.9 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.5 m -115.28 163.69 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 111.73 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 pt -124.77 165.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD22 HD23 ' A' ' 44' ' ' LEU . 4.7 mp -87.72 162.79 16.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.509 0.671 . . . . 0.0 112.599 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.0 p -105.12 -178.92 3.79 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.356 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.0 97.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.893 0.77 . . . . 0.0 111.586 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.13 -39.23 85.53 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.512 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.59 71.1 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.876 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.597 ' HA ' HD23 ' A' ' 44' ' ' LEU . 14.2 m-30 -69.33 -34.53 74.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.393 0.14 . . . . 0.0 110.807 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.6 m -69.12 -34.75 75.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.214 0.53 . . . . 0.0 110.579 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.89 -16.17 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -83.31 -42.98 16.5 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.169 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.32 -22.6 61.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 110.535 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.79 -43.12 56.43 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.095 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.634 HG22 HG21 ' C' ' 47' ' ' ILE . 20.7 pt -79.61 -29.36 13.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.701 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 75.8 mm-40 -54.0 -58.94 5.45 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 121.24 0.543 . . . . 0.0 109.717 167.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 2.9 ttmp? -76.63 -3.3 37.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.886 -164.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.408 ' CE1' HD21 ' C' ' 36' ' ' LEU . 18.5 m80 -117.77 -1.57 11.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.471 -1.292 . . . . 0.0 113.545 169.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.2 mm? -122.38 -43.77 2.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -122.83 -21.4 5.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -168.11 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 18.8 mtmt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.189 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.99 -7.47 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.455 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.62 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.178 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.93 147.11 46.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.988 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -62.81 -16.73 59.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.042 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.58 -2.06 52.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -103.55 -19.22 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.399 . . . . 0.0 110.634 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.07 -17.29 13.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.705 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.87 132.29 40.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.479 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.82 140.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.646 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.64 131.95 49.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 110.55 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.807 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.69 164.83 8.71 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.915 -168.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.807 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 63.7 Cg_exo -48.79 -31.84 20.64 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.229 2.619 . . . . 0.0 114.558 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.88 -28.06 0.21 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -168.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 20.4 p -115.33 43.68 1.98 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -169.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.646 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.53 26.59 1.95 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.408 ' H ' ' H ' ' B' ' 18' ' ' ALA . 13.0 ptm180 -148.04 -21.63 0.35 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -163.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -135.49 -32.54 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.631 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.2 20.93 47.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.907 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.0 pt-20 -159.99 165.71 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.631 ' O ' HG22 ' B' ' 24' ' ' THR . 28.9 mm -124.71 111.2 27.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.8 47.58 19.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.0 109.963 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -0.72 24.25 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.072 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.631 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.6 OUTLIER -119.63 158.36 49.59 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 117.165 0.483 . . . . 0.0 110.398 -174.606 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.623 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.0 Cg_endo -55.56 145.15 71.1 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.962 2.441 . . . . 0.0 112.247 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 48.9 t -97.66 137.85 21.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.2 Cg_exo -30.1 -54.99 0.2 Allowed 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.847 4.365 . . . . 0.0 116.402 -177.634 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.96 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 23.9 p -131.21 100.02 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -76.69 52.4 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 112.205 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.85 47.59 3.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.734 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.436 ' HB3' ' HD3' ' C' ' 49' ' ' LYS . 42.6 mttm -112.5 -44.63 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' B' ' 16' ' ' GLU . . . 115.59 -38.8 2.96 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -172.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.8 m -114.65 163.54 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 0.0 111.722 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.3 pt -124.7 166.01 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.001 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.43 HD22 HD23 ' B' ' 44' ' ' LEU . 4.8 mp -87.52 163.34 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.456 0.646 . . . . 0.0 112.432 -174.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 74.6 p -105.25 -177.61 3.41 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.54 98.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.904 0.775 . . . . 0.0 111.43 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.12 -39.22 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.362 . . . . 0.0 110.473 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.6 -29.91 71.16 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.765 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.608 ' HA ' HD23 ' B' ' 44' ' ' LEU . 14.7 m-30 -69.45 -34.14 73.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.377 0.132 . . . . 0.0 110.675 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 42.0 m -69.3 -35.3 75.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 173.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.55 -16.44 36.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.119 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -82.88 -43.12 16.94 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.104 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.49 -22.41 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.337 0.589 . . . . 0.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -74.72 -42.96 57.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.133 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.635 HG21 HG22 ' C' ' 47' ' ' ILE . 20.4 pt -79.73 -29.22 12.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.711 -176.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 75.1 mm-40 -54.12 -59.26 4.89 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.152 0.501 . . . . 0.0 109.778 167.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' B' ' 53' ' ' LYS . 2.9 ttmp? -76.39 -3.68 38.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.844 -164.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.412 ' CE1' HD21 ' A' ' 36' ' ' LEU . 18.2 m80 -117.56 -1.51 11.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.319 -1.352 . . . . 0.0 113.452 170.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -122.47 -45.23 2.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.324 0.511 . . . . 0.0 111.293 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASN . . . . . 0.526 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -120.61 -21.64 6.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.514 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.291 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.81 -7.87 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 0.0 110.39 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 tt -121.31 131.96 71.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.252 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.69 43.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -15.35 62.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.789 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.43 -5.1 57.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -102.87 -17.77 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.717 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.54 -17.37 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.111 0.481 . . . . 0.0 110.629 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -134.58 131.67 38.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.57 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.69 140.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.626 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.18 131.17 46.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.387 0.613 . . . . 0.0 110.415 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.618 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -60.84 167.36 3.56 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.633 -168.399 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.618 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 71.1 Cg_exo -49.82 -35.66 40.27 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.921 2.414 . . . . 0.0 114.114 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -147.86 -28.5 0.34 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -167.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 26.7 p -115.29 44.04 1.91 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.626 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.422 ' H ' ' H ' ' C' ' 18' ' ' ALA . 13.2 ptm180 -148.4 -21.9 0.33 Allowed 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -163.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -135.0 -35.17 0.86 Allowed 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.798 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.24 35.84 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.179 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.0 pt-20 -158.63 168.12 27.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.132 0.492 . . . . 0.0 110.766 -178.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.654 ' O ' HG22 ' C' ' 24' ' ' THR . 35.7 mm -126.25 109.97 22.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.19 48.87 12.13 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.336 0.398 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 0.93 15.02 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.998 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.654 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.5 OUTLIER -119.76 157.94 50.97 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 117.297 0.548 . . . . 0.0 110.928 -173.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 25' ' ' PRO . . . . . 0.57 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 17.7 Cg_endo -56.71 141.06 91.98 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.123 2.549 . . . . 0.0 112.534 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.47 ' HB2' HG12 ' C' ' 21' ' ' ILE . 47.6 t -97.19 138.73 21.23 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -174.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.464 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 43.5 Cg_exo -28.71 -56.11 0.14 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.333 4.689 . . . . 0.0 116.264 -177.215 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.17 -5.09 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 0.0 111.97 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 32.0 p -130.39 97.91 4.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -76.9 50.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.84 46.85 3.3 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.674 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -110.99 -43.51 3.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 108.964 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.7 -38.65 3.06 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.1 m -116.24 164.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.651 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.444 HG23 ' SG ' ' C' ' 12' ' ' CYS . 16.9 pt -124.79 166.69 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.091 173.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.428 HD22 HD23 ' C' ' 44' ' ' LEU . 4.7 mp -87.7 163.88 16.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.448 0.642 . . . . 0.0 112.597 -174.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 62.3 p -105.73 -177.98 3.52 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.29 99.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 119.035 0.834 . . . . 0.0 111.364 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.499 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.02 -29.62 72.34 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.884 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.599 ' HA ' HD23 ' C' ' 44' ' ' LEU . 14.5 m-30 -69.58 -34.61 74.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.006 -0.114 . . . . 0.0 110.743 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 40.7 m -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.156 0.503 . . . . 0.0 110.616 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.95 -16.49 35.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.216 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.7 OUTLIER -83.18 -42.68 17.02 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.068 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.4 -22.65 61.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.538 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -74.7 -43.22 56.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.635 HG22 HG21 ' B' ' 47' ' ' ILE . 20.3 pt -79.66 -29.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.772 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 76.5 mm-40 -53.67 -60.2 3.63 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 167.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.493 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.3 ttmp? -76.91 -2.39 33.34 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.0 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.417 ' CE1' HD21 ' B' ' 36' ' ' LEU . 18.1 m80 -117.49 -1.67 11.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.336 -1.346 . . . . 0.0 113.534 169.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.2 mm? -122.12 -43.95 2.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.377 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ASN . . . . . 0.478 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -121.43 -23.03 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.663 -168.725 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 23.6 mtmt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.98 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -104.98 -13.97 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.905 0.859 . . . . 0.0 108.754 174.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.95 134.26 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.811 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.34 151.23 49.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.004 0.431 . . . . 0.0 110.042 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -67.73 -9.8 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -174.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.47 -11.32 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.264 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -104.89 -6.65 19.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 6.7 mp -118.18 -19.57 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -140.21 137.79 34.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.408 173.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.0 148.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.71 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.13 132.74 51.34 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.741 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.778 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 29.3 t -66.88 161.22 63.84 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 123.777 0.831 . . . . 0.0 112.01 -169.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.778 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 21.0 Cg_exo -32.37 -44.5 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 123.687 2.925 . . . . 0.0 114.767 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.25 1.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -173.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 p -117.06 41.27 2.79 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 115.058 -2.657 . . . . 0.0 113.823 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.71 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.52 26.51 1.45 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -149.43 -26.78 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.5 -42.04 2.24 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.79 16.43 39.12 Favored Glycine 0 C--O 1.226 -0.369 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.184 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -158.48 164.85 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.51 ' O ' ' HB ' ' A' ' 24' ' ' THR . 37.2 mt -142.66 121.05 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 58.33 43.4 20.07 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.933 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.04 15.27 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.806 0.67 . . . . 0.0 112.31 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -121.6 146.3 45.05 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 114.129 -1.036 . . . . 0.0 110.509 -170.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.76 128.88 29.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.651 2.234 . . . . 0.0 111.888 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.06 135.38 44.9 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.636 -167.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -30.67 -57.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.154 1 C-N-CA 126.01 4.474 . . . . 0.0 116.085 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.32 -9.39 9.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -165.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.4 p -131.05 94.4 3.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.557 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -71.89 55.43 0.28 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.16 5.37 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.512 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HD2' ' HG3' ' B' ' 49' ' ' LYS . 16.6 mtmt -112.73 -43.18 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.486 0.66 . . . . 0.0 109.447 -177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 121.1 -38.48 2.67 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.307 -178.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -116.22 164.81 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 pt -128.17 161.52 36.35 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.869 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.9 165.33 15.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -170.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 60.9 p -106.82 178.97 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.631 173.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -58.39 -45.75 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.458 0.572 . . . . 0.0 111.8 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.05 -43.52 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.696 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.23 -31.75 78.19 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.001 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.9 m-85 -69.6 -32.22 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.131 0.172 . . . . 0.0 111.193 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.7 m -71.45 -31.25 66.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.489 0.662 . . . . 0.0 109.95 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.83 -20.09 28.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.677 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -80.57 -43.88 19.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.837 -178.366 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.84 -22.75 61.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -74.17 -42.35 60.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.915 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.646 HG22 HG21 ' C' ' 47' ' ' ILE . 20.5 pt -79.18 -26.82 13.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 119.709 -0.797 . . . . 0.0 110.49 -177.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.2 mm-40 -55.34 -60.61 3.17 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.27 0.557 . . . . 0.0 109.706 167.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.564 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 15.4 ttpp -78.59 3.09 17.16 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.754 -165.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' NE2' HD21 ' C' ' 36' ' ' LEU . 59.4 m80 -117.16 -2.92 11.57 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 118.244 -1.382 . . . . 0.0 114.144 163.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.3 mm? -123.88 -43.58 2.11 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.779 0.718 . . . . 0.0 111.637 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.467 ' HB2' HD12 ' B' ' 51' ' ' LEU . 2.2 m-20 -119.89 -20.28 7.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.226 -168.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.5 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.715 175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' FME . . . . . 0.479 ' HB3' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -105.43 -15.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.6 134.28 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.856 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.2 149.65 49.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.071 0.462 . . . . 0.0 109.814 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -67.18 -10.26 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.52 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 -10.36 59.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.223 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -104.97 -8.54 18.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.896 0.379 . . . . 0.0 111.026 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.95 -19.65 10.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.937 0.399 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -140.34 139.51 35.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.172 173.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -131.05 148.8 33.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.738 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.22 130.67 44.79 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.854 0.359 . . . . 0.0 110.64 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.87 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 47.0 t -65.41 159.92 63.12 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.239 1.015 . . . . 0.0 111.803 -169.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.87 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 18.3 Cg_exo -31.09 -44.56 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.18 3.253 . . . . 0.0 114.93 175.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 -2.07 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.67 39.25 3.22 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 117.159 -1.816 . . . . 0.0 113.056 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.738 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.37 25.77 1.84 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.652 0.739 . . . . 0.0 109.154 -179.014 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -148.81 -22.77 0.31 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -166.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.82 -43.97 1.67 Allowed 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.392 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.06 17.59 34.36 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.262 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -159.58 164.12 34.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.821 0.31 . . . . 0.0 110.402 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.555 ' O ' ' HB ' ' B' ' 24' ' ' THR . 47.0 mt -142.79 117.95 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.817 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.46 44.91 14.29 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.745 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.91 22.17 11.73 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-O 122.168 0.871 . . . . 0.0 112.813 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.0 OUTLIER -125.83 145.09 50.56 Favored Pre-proline 0 C--N 1.298 -1.67 0 CA-C-N 114.023 -1.089 . . . . 0.0 110.053 -170.393 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.28 126.62 22.03 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.665 2.243 . . . . 0.0 111.681 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.42 ' SG ' HD12 ' B' ' 21' ' ' ILE . 42.4 t -80.46 135.26 53.59 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.703 -169.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -30.51 -58.68 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 125.95 4.433 . . . . 0.0 116.633 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.56 -11.62 9.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.271 0.558 . . . . 0.0 111.997 -165.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.08 93.49 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -71.57 54.63 0.23 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.62 5.27 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.409 ' HD2' ' HG3' ' C' ' 49' ' ' LYS . 15.8 mtmt -113.65 -42.21 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' B' ' 16' ' ' GLU . . . 121.7 -38.96 2.47 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.375 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.64 163.62 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.9 pt -126.94 161.57 33.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.452 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.552 HD21 ' NE2' ' C' ' 50' ' ' HIS . 4.5 mp -87.75 166.07 14.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -171.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.427 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.7 p -106.68 -179.87 4.06 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.481 172.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -45.81 92.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.634 0.652 . . . . 0.0 111.36 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.24 -41.49 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.799 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.44 87.93 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.001 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.614 ' HA ' HD23 ' B' ' 44' ' ' LEU . 5.4 m-85 -69.85 -32.96 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.453 0.168 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 20.3 m -69.76 -31.65 69.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.438 0.637 . . . . 0.0 110.568 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -87.06 -17.03 33.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.333 -176.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -83.47 -44.61 14.55 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.895 -177.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.06 -22.24 61.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.344 0.592 . . . . 0.0 109.935 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -74.56 -41.61 60.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.099 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.641 HG21 HG22 ' C' ' 47' ' ' ILE . 19.5 pt -79.45 -26.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.534 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -55.65 -60.11 3.9 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.303 0.573 . . . . 0.0 109.692 167.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.574 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 14.0 ttpp -79.22 2.93 19.41 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.104 -165.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.536 ' NE2' HD21 ' A' ' 36' ' ' LEU . 54.6 m80 -117.22 -2.31 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 118.156 -1.418 . . . . 0.0 114.285 163.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -123.46 -43.28 2.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.968 0.804 . . . . 0.0 111.741 176.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -119.22 -21.67 7.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.043 -168.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.574 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.2 mtmt . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.634 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 1' ' ' FME . . . . . 0.503 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.25 -16.05 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.908 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -111.74 134.4 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.906 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.74 148.35 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.469 . . . . 0.0 110.134 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.31 -12.06 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.856 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.2 -10.27 59.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.251 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -105.4 -6.55 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.22 -19.89 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -140.49 138.05 34.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.077 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.39 148.35 33.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -175.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.673 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.52 131.07 46.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.085 0.469 . . . . 0.0 110.641 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.929 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 25.5 t -64.82 161.15 48.55 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 124.022 0.929 . . . . 0.0 112.056 -169.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.929 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 15.6 Cg_exo -32.09 -43.81 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.946 3.097 . . . . 0.0 115.152 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.19 -4.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.91 39.74 2.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 117.652 -1.619 . . . . 0.0 112.984 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.673 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -89.11 24.4 2.14 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -148.48 -21.3 0.33 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -166.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.0 -43.47 1.5 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -168.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.37 15.84 42.57 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.429 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -158.71 163.38 36.87 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.359 -0.495 . . . . 0.0 109.922 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.54 ' O ' ' HB ' ' C' ' 24' ' ' THR . 51.9 mt -142.59 119.03 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.18 44.75 15.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.795 1.309 . . . . 0.0 110.805 -170.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.89 16.82 8.28 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 121.836 0.687 . . . . 0.0 112.703 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.75 146.16 45.03 Favored Pre-proline 0 C--N 1.299 -1.591 0 CA-C-N 114.335 -0.933 . . . . 0.0 110.524 -170.384 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.97 125.92 20.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.962 2.441 . . . . 0.0 112.007 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -79.86 136.11 55.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.858 -169.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -31.61 -57.28 0.24 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 125.898 4.399 . . . . 0.0 116.464 -176.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.35 -10.0 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 112.317 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 26.6 p -130.7 94.78 3.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -71.29 53.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.61 5.27 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.395 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.407 ' HD2' ' HG3' ' A' ' 49' ' ' LYS . 16.0 mtmt -113.19 -40.92 3.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.671 . . . . 0.0 109.393 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' C' ' 16' ' ' GLU . . . 120.19 -38.9 2.6 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.338 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.57 164.12 13.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -127.54 161.07 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.732 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.557 HD21 ' NE2' ' A' ' 50' ' ' HIS . 4.5 mp -88.23 165.14 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -170.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' THR . . . . . 0.435 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 71.0 p -106.16 179.58 4.23 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.545 173.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' B' ' 1' ' ' FME . . . -60.37 -44.85 95.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.842 0.746 . . . . 0.0 111.348 -178.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.49 -41.43 94.25 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.3 -33.75 83.39 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.834 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.62 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -69.71 -33.59 72.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.893 -0.181 . . . . 0.0 111.153 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -69.49 -31.17 69.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.357 0.598 . . . . 0.0 110.579 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -87.25 -17.01 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -83.62 -44.69 14.3 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.797 -177.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.96 -21.48 61.59 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.289 0.566 . . . . 0.0 110.059 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -74.39 -42.4 59.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.954 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.646 HG21 HG22 ' A' ' 47' ' ' ILE . 19.4 pt -79.27 -26.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.676 -0.809 . . . . 0.0 110.534 -177.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.54 -60.19 3.78 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.206 0.527 . . . . 0.0 109.595 167.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.573 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 14.1 ttpp -78.99 2.75 19.32 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.021 -0.991 . . . . 0.0 112.837 -166.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.552 ' NE2' HD21 ' B' ' 36' ' ' LEU . 58.9 m80 -117.11 -2.58 11.66 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 118.267 -1.373 . . . . 0.0 114.212 163.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.407 HD21 HG13 ' B' ' 47' ' ' ILE . 3.3 mm? -124.25 -42.49 2.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.836 0.744 . . . . 0.0 111.894 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' ASN . . . . . 0.462 ' HB2' HD12 ' A' ' 51' ' ' LEU . 2.4 m-20 -121.64 -19.23 6.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.163 -167.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.573 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.575 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -104.91 5.54 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.525 0.678 . . . . 0.0 110.751 -172.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.47 137.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.598 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.54 160.73 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.242 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -16.34 60.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.023 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.34 -8.17 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.752 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -103.83 3.69 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.488 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -124.93 -34.32 2.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.224 0.535 . . . . 0.0 110.493 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE2' ' NE2' ' B' ' 50' ' ' HIS . 72.2 mt-10 -134.74 143.47 47.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.793 -177.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.88 140.66 48.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.86 135.32 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.193 0.521 . . . . 0.0 110.59 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -63.11 169.26 3.76 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.277 -170.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.6 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 95.5 Cg_exo -53.05 -33.07 61.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.805 2.337 . . . . 0.0 114.246 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 7.0 tmtm? -150.83 -30.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -165.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HB2' ' H ' ' A' ' 20' ' ' GLU . 23.4 p -116.33 42.67 2.35 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.814 -1.178 . . . . 0.0 114.103 -168.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.86 27.24 1.85 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.203 0.525 . . . . 0.0 109.955 -175.648 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' H ' ' H ' ' A' ' 18' ' ' ALA . 11.6 ptp180 -148.57 -25.09 0.32 Allowed 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -167.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -126.81 -31.94 2.62 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.101 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.41 41.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.057 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 15' ' ' CYS . 4.1 pt-20 -151.15 159.81 44.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.011 0.406 . . . . 0.0 111.447 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.626 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.1 mm -130.2 109.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.52 45.26 10.86 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.172 0.295 . . . . 0.0 111.213 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.49 7.86 11.88 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.563 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -119.32 145.53 38.79 Favored Pre-proline 0 C--N 1.305 -1.351 0 C-N-CA 123.426 0.69 . . . . 0.0 110.168 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -54.85 132.97 55.11 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.089 2.526 . . . . 0.0 111.986 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 52.5 t -84.48 136.94 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.1 Cg_exo -29.13 -52.82 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.111 1 C-N-CA 126.182 4.588 . . . . 0.0 116.021 -177.071 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.15 -6.41 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 111.871 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 30.3 p -132.66 88.79 2.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.233 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -76.61 60.17 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.96 0.409 . . . . 0.0 111.533 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.88 46.05 2.98 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.838 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mppt? -126.2 -36.35 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 109.76 -39.2 2.99 Favored Glycine 0 N--CA 1.434 -1.456 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.18 164.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.028 0.442 . . . . 0.0 111.777 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.1 pt -127.55 162.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.468 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 44' ' ' LEU . 3.0 mp -87.93 157.15 19.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.714 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -107.26 176.15 5.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.562 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.52 70.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG2' HG22 ' C' ' 3' ' ' ILE . 0.8 OUTLIER -54.33 -52.79 60.43 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.81 -27.87 73.13 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.856 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.512 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.0 m-85 -68.82 -34.19 75.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.532 -0.393 . . . . 0.0 110.908 176.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -70.32 -31.53 68.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.443 0.64 . . . . 0.0 110.493 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.9 mp -86.06 -23.11 26.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.094 -174.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD23 HD22 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.73 -40.39 41.33 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.125 -179.317 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.052 0.453 . . . . 0.0 110.49 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.483 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.2 t80 -75.16 -39.0 60.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 175.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.669 HG22 HG21 ' C' ' 47' ' ' ILE . 29.2 pt -78.0 -33.76 18.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.813 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -51.79 -62.21 1.77 Allowed 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.397 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.0 ttmt -77.79 -3.38 41.12 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.831 -161.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.665 ' O ' HD23 ' A' ' 51' ' ' LEU . 90.4 m-70 -117.25 -2.55 11.6 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 117.383 -1.727 . . . . 0.0 113.956 169.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -126.75 -46.76 1.56 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.561 0.619 . . . . 0.0 112.137 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -106.56 -25.25 11.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 14.1 mtmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.257 -0.877 . . . . 0.0 109.795 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.17 7.85 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.712 0.768 . . . . 0.0 110.644 -173.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.15 137.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.593 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.82 159.41 25.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.859 0.361 . . . . 0.0 110.254 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -63.23 -16.2 59.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.975 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.08 -8.7 59.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -103.34 1.77 33.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.613 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -122.38 -33.7 3.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.321 0.581 . . . . 0.0 110.628 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -134.61 145.87 49.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.749 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.18 141.14 46.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.6 135.99 56.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.716 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -61.33 167.2 4.27 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.644 -171.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.716 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 82.6 Cg_exo -51.64 -31.67 41.55 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.592 2.194 . . . . 0.0 114.342 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.455 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 7.0 tmtm? -151.2 -30.42 0.18 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -164.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 15.5 p -117.34 43.39 2.35 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -168.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.51 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.07 27.32 1.89 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 109.894 -176.278 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' B' ' 18' ' ' ALA . 11.3 ptp180 -148.93 -24.09 0.31 Allowed 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -166.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -128.57 -32.84 2.13 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.965 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.72 23.12 43.66 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.434 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 5.9 pt-20 -149.36 159.61 44.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.109 0.455 . . . . 0.0 111.135 -175.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.572 ' O ' ' HB ' ' B' ' 24' ' ' THR . 29.8 mm -130.42 109.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.11 46.01 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.354 0.409 . . . . 0.0 110.998 -177.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.57 8.9 10.56 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.733 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -119.94 145.37 39.54 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 114.75 -0.725 . . . . 0.0 110.202 -170.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.33 133.36 55.64 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.155 2.57 . . . . 0.0 111.725 -176.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.1 t -84.65 137.48 38.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.3 Cg_exo -29.25 -52.41 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 126.103 4.535 . . . . 0.0 115.942 -177.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.82 -3.79 4.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.906 0.384 . . . . 0.0 111.967 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 18.0 p -133.25 90.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.054 0.454 . . . . 0.0 109.888 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -77.35 57.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.417 . . . . 0.0 111.28 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 49.92 2.19 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.909 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -127.89 -36.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.22 -39.24 2.97 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -114.94 164.87 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 111.837 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.02 162.5 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.453 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.542 HD22 HD23 ' B' ' 44' ' ' LEU . 2.9 mp -87.79 157.65 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.89 176.6 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.505 170.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.97 69.5 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -52.3 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.41 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -66.05 -28.07 73.38 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.907 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.516 ' HA ' HD23 ' B' ' 44' ' ' LEU . 13.4 m-85 -68.59 -33.99 75.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.37 -0.488 . . . . 0.0 111.023 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -70.43 -31.77 69.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.355 0.597 . . . . 0.0 110.554 174.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.547 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.0 mp -86.14 -23.04 26.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.542 HD23 HD22 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -77.74 -40.83 39.73 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.138 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.94 -24.04 62.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 64.8 t80 -75.21 -39.62 59.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 175.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.678 HG21 HG22 ' C' ' 47' ' ' ILE . 28.6 pt -77.91 -34.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.666 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -50.91 -62.1 1.81 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.503 0.668 . . . . 0.0 109.52 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.9 ttmt -77.48 -4.37 45.18 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.944 -162.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.672 ' O ' HD23 ' B' ' 51' ' ' LEU . 91.5 m-70 -116.6 -2.71 11.89 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.499 -1.68 . . . . 0.0 113.853 170.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.672 HD23 ' O ' ' B' ' 50' ' ' HIS . 12.6 mt -127.29 -45.77 1.52 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.605 0.639 . . . . 0.0 112.208 174.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.55 -25.21 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.8 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.383 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.2 7.77 9.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.581 0.705 . . . . 0.0 110.602 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.401 HG22 ' HG2' ' A' ' 39' ' ' GLN . 16.6 tt -149.02 137.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.527 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.0 159.41 24.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -64.97 -14.85 61.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.669 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.69 -7.86 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.816 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.96 3.72 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.716 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.26 -33.41 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.35 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -135.68 144.31 45.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.005 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.89 140.89 47.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.64 135.08 55.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.721 0.295 . . . . 0.0 110.865 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.717 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.4 OUTLIER -59.12 167.58 2.0 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.879 0.872 . . . . 0.0 112.917 -172.216 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.717 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 89.4 Cg_exo -52.64 -32.33 53.98 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.792 2.328 . . . . 0.0 114.089 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 14' ' ' LYS . . . . . 0.439 ' HD2' HD13 ' C' ' 21' ' ' ILE . 6.6 tmtm? -149.14 -33.14 0.21 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -165.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 23.2 p -116.53 44.78 1.94 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -167.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.549 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.4 26.33 2.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.26 0.553 . . . . 0.0 110.01 -176.703 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.439 ' H ' ' H ' ' C' ' 18' ' ' ALA . 11.7 ptp180 -148.06 -21.98 0.35 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -165.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.439 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -130.64 -32.39 1.7 Allowed 'General case' 0 C--N 1.343 0.283 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.108 -176.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.3 20.9 50.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.447 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 4.0 pt-20 -147.36 158.46 43.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.215 0.507 . . . . 0.0 111.148 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.629 ' O ' ' HB ' ' C' ' 24' ' ' THR . 29.2 mm -129.81 110.0 18.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.62 46.15 15.03 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.145 0.278 . . . . 0.0 110.864 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.85 9.54 10.63 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.807 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -119.64 145.22 38.64 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.661 -0.77 . . . . 0.0 110.094 -170.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.62 132.34 50.88 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.774 2.316 . . . . 0.0 111.658 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.9 t -82.72 138.14 43.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 51.6 Cg_exo -30.01 -53.46 0.2 Allowed 'Trans proline' 0 C--N 1.358 1.078 1 C-N-CA 125.959 4.439 . . . . 0.0 115.907 -178.216 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.64 -2.94 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -169.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 16.8 p -133.7 91.05 2.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.985 0.421 . . . . 0.0 109.918 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -76.79 58.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.66 47.44 2.73 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.947 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -125.8 -37.08 2.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 110.9 -39.32 2.94 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' C' ' 11' ' ' ALA . 34.0 m -114.37 164.63 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.063 0.459 . . . . 0.0 111.723 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 18.0 pt -128.09 162.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.456 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.539 HD22 HD23 ' C' ' 44' ' ' LEU . 2.9 mp -87.71 157.36 19.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.699 0.761 . . . . 0.0 112.918 -172.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -108.05 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.493 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.76 -44.9 70.38 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.24 -52.61 60.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' GLY . . . . . 0.423 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -66.0 -27.87 73.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.975 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.515 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.1 m-85 -68.71 -33.91 74.74 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.433 -0.451 . . . . 0.0 110.863 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 11.8 m -70.32 -31.88 69.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.512 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.559 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.9 mp -86.01 -23.01 27.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.18 -174.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.539 HD23 HD22 ' C' ' 36' ' ' LEU . 1.0 OUTLIER -77.91 -40.49 39.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.076 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.07 -24.24 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.463 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 64.5 t80 -75.25 -38.98 60.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.717 175.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.678 HG22 HG21 ' B' ' 47' ' ' ILE . 28.9 pt -78.18 -34.05 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.771 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -51.13 -62.36 1.66 Allowed 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.331 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.513 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 30.4 ttmt -77.13 -4.81 46.4 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.658 -161.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.694 ' O ' HD23 ' C' ' 51' ' ' LEU . 93.6 m-70 -116.55 -2.82 11.9 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 117.547 -1.661 . . . . 0.0 114.009 171.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.694 HD23 ' O ' ' C' ' 50' ' ' HIS . 12.2 mt -127.19 -45.72 1.53 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.552 0.615 . . . . 0.0 112.332 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.77 -24.2 11.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.0 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.104 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.22 12.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.65 0.738 . . . . 0.0 110.385 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -148.04 142.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.526 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.29 161.46 21.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.875 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -65.66 -15.02 62.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.077 0.465 . . . . 0.0 110.837 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.02 -5.27 58.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -102.12 -5.37 24.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.92 -26.33 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.083 0.468 . . . . 0.0 110.561 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -137.69 146.43 43.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -128.67 139.33 52.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.298 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.86 133.95 54.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.89 0.376 . . . . 0.0 110.778 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.82 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 11.2 t -64.85 157.08 77.08 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 45.5 Cg_exo -38.82 -35.3 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.611 2.874 . . . . 0.0 114.851 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -146.55 -29.77 0.38 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -167.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 p -119.33 46.91 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -167.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.08 24.74 2.71 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -173.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.81 -17.98 0.31 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.27 -42.08 2.93 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.647 -171.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.16 10.09 57.58 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.072 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 5.5 pt-20 -151.06 164.43 36.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 110.352 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 24' ' ' THR . 19.9 mt -143.62 124.27 9.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 173.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.55 45.75 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.574 0.546 . . . . 0.0 110.473 -172.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 59.46 8.28 6.85 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.14 -0.552 . . . . 0.0 114.183 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -119.81 153.76 54.84 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 117.694 0.747 . . . . 0.0 111.393 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 17.3 Cg_endo -54.32 122.83 12.2 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.21 2.607 . . . . 0.0 111.18 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 47.1 t -75.82 140.71 71.08 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.468 -168.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.2 Cg_exo -26.23 -52.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 1 C-N-CA 126.327 4.685 . . . . 0.0 116.691 -177.348 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.75 -3.5 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.319 0.58 . . . . 0.0 112.147 -169.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.57 89.75 2.75 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -73.08 54.04 0.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.13 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.466 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 91.75 50.58 2.67 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.314 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -126.53 -38.96 2.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.32 2.8 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.4 163.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.224 0.535 . . . . 0.0 112.273 -175.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 pt -125.44 157.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.214 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD22 HD23 ' A' ' 44' ' ' LEU . 4.5 mp -88.38 159.27 18.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.441 0.639 . . . . 0.0 112.502 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.32 176.08 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.226 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -51.61 -47.21 63.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -58.37 -47.07 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 111.215 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.1 -27.58 73.5 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.779 -0.725 . . . . 0.0 111.718 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.537 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.8 m-85 -70.43 -33.01 70.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.939 -0.154 . . . . 0.0 111.358 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -70.25 -33.86 72.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.366 0.603 . . . . 0.0 110.628 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.23 -16.14 38.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.73 -175.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.64 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.45 -41.58 16.47 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.551 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.91 -24.97 63.46 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.198 0.523 . . . . 0.0 110.514 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.07 -41.08 59.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.162 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.622 HG22 HG21 ' C' ' 47' ' ' ILE . 22.7 pt -80.46 -28.85 11.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.683 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 80.7 mm-40 -56.56 -59.03 5.58 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 121.261 0.553 . . . . 0.0 110.047 168.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 12.5 ttpt -77.42 0.9 20.78 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.542 -166.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -117.94 -1.44 11.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.401 -1.32 . . . . 0.0 113.797 165.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 47' ' ' ILE . 3.4 mm? -125.56 -37.5 2.34 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.394 0.543 . . . . 0.0 112.396 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HB2' HD12 ' B' ' 51' ' ' LEU . 2.3 m-20 -128.08 -20.4 3.79 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -168.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.6 mtmt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.253 -0.88 . . . . 0.0 109.174 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.65 10.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.705 0.764 . . . . 0.0 110.209 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -147.32 141.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.6 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.33 22.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.704 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -64.85 -13.86 57.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.233 0.54 . . . . 0.0 110.968 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.18 -5.87 58.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.807 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -102.71 -4.86 24.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.944 0.402 . . . . 0.0 110.938 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.22 -26.58 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.696 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -137.53 146.0 43.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.993 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.04 139.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.196 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.21 135.02 55.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.861 0.362 . . . . 0.0 110.779 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.842 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 t -66.72 155.64 88.8 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.842 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.0 Cg_exo -36.85 -35.82 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.725 2.95 . . . . 0.0 115.156 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -146.77 -29.46 0.38 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 14.2 p -118.18 46.96 1.68 Allowed 'General case' 0 C--O 1.243 0.721 0 O-C-N 120.683 -1.26 . . . . 0.0 114.387 -169.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.607 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.98 24.36 2.46 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.828 0.346 . . . . 0.0 110.766 -174.747 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.406 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.34 -21.26 0.33 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -114.89 -40.51 3.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.384 -171.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.424 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 93.3 11.61 58.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.112 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.7 pt-20 -150.71 165.09 34.51 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 120.999 0.428 . . . . 0.0 110.172 -175.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.533 ' O ' HG22 ' B' ' 24' ' ' THR . 24.6 mt -145.37 123.45 4.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 46.42 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.735 0.647 . . . . 0.0 110.773 -171.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.32 12.9 6.48 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.137 0.415 . . . . 0.0 114.137 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.5 OUTLIER -122.88 152.53 62.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.23 0.515 . . . . 0.0 111.465 -173.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.439 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 17.1 Cg_endo -54.7 118.71 5.4 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.21 2.607 . . . . 0.0 111.444 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.519 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 45.2 t -73.54 140.77 79.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.573 -169.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.519 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.6 Cg_exo -25.1 -57.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.079 1 C-N-CA 126.387 4.725 . . . . 0.0 116.321 -177.041 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.42 -4.31 5.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.152 0.501 . . . . 0.0 111.739 -168.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 29.4 p -130.96 89.93 2.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -73.35 55.64 0.47 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.104 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.424 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 92.18 46.71 3.51 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.71 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -123.91 -37.94 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 114.44 -39.24 2.87 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.03 163.07 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 112.171 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.9 157.25 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.262 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.507 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -88.42 159.73 17.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 112.65 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -106.62 175.44 5.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.352 172.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.74 63.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -174.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -58.81 -46.39 87.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.319 . . . . 0.0 111.408 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.56 73.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.481 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.551 ' HA ' HD23 ' B' ' 44' ' ' LEU . 7.3 m-85 -70.23 -33.69 71.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.039 -0.094 . . . . 0.0 111.157 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -69.98 -33.59 72.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.392 0.615 . . . . 0.0 110.643 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.35 -16.66 36.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.601 -175.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -84.16 -41.9 16.55 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.413 -179.421 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.93 -24.67 63.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.145 0.497 . . . . 0.0 110.514 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -75.31 -41.09 57.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.604 HG21 HG22 ' C' ' 47' ' ' ILE . 22.8 pt -80.38 -28.84 12.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.615 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.9 mm-40 -56.49 -58.99 5.65 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.333 0.587 . . . . 0.0 110.038 168.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 12.1 ttpt -77.64 0.95 21.29 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.593 -166.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -117.82 -1.41 11.55 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.347 -1.341 . . . . 0.0 113.854 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.4 mm? -125.18 -37.28 2.42 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.398 0.545 . . . . 0.0 112.286 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' C' ' 51' ' ' LEU . 2.4 m-20 -128.97 -20.01 3.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -167.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.542 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.2 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.466 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' FME . . . . . 0.441 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -106.48 9.22 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.672 0.749 . . . . 0.0 110.244 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -145.89 141.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.578 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.89 161.01 22.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.636 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -64.89 -14.2 58.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 110.825 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.93 -6.52 59.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -101.36 -5.43 25.39 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.781 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.22 -26.25 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 110.66 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -137.71 146.81 44.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.959 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -128.73 139.45 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.317 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.568 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.81 134.15 54.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.91 0.386 . . . . 0.0 110.755 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.864 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 6.2 t -66.29 157.18 82.77 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -169.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.864 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -37.84 -38.3 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.648 2.899 . . . . 0.0 114.635 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -144.45 -29.82 0.47 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -166.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 p -117.51 46.85 1.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.568 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 24.76 2.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.758 0.313 . . . . 0.0 111.087 -175.251 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.45 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -148.42 -22.37 0.33 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -174.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.45 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -113.69 -39.19 4.09 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.908 -171.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.17 12.89 61.11 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.586 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.76 162.87 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.57 HD12 ' SG ' ' C' ' 26' ' ' CYS . 24.5 mt -145.94 125.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.84 43.87 30.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.677 0.611 . . . . 0.0 110.822 -172.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.98 7.68 7.06 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.116 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.51 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.6 OUTLIER -119.89 152.94 54.61 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 117.339 0.569 . . . . 0.0 110.854 -175.042 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 16.0 Cg_endo -54.56 123.49 13.79 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.225 2.617 . . . . 0.0 111.385 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.621 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 46.5 t -78.37 140.64 60.69 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.7 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.621 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 67.6 Cg_exo -25.82 -54.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 126.534 4.822 . . . . 0.0 116.647 -175.466 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.03 -4.3 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.903 -168.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 22.2 p -130.91 90.55 2.91 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -74.19 54.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 112.124 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 92.83 46.97 3.27 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.569 174.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -124.09 -38.76 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.93 -39.06 2.9 Favored Glycine 0 N--CA 1.435 -1.417 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.63 163.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 0.0 112.183 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.84 157.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.364 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.51 HD22 HD23 ' C' ' 44' ' ' LEU . 4.6 mp -88.57 158.71 18.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.591 0.71 . . . . 0.0 112.67 -170.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.4 174.91 5.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.182 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.93 62.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -58.51 -46.41 86.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.369 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.11 -27.58 73.65 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.594 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.543 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.1 m-85 -70.37 -32.6 70.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.883 -0.187 . . . . 0.0 111.279 175.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 10.4 m -70.48 -33.84 71.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.377 0.608 . . . . 0.0 110.703 172.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.26 -16.6 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.496 -179.372 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.0 -25.27 63.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.108 0.48 . . . . 0.0 110.548 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.99 -40.79 60.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.12 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.622 HG21 HG22 ' A' ' 47' ' ' ILE . 23.6 pt -80.55 -29.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.661 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.8 mm-40 -56.43 -59.21 5.3 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.356 0.598 . . . . 0.0 109.996 168.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 12.1 ttpt -77.44 1.01 20.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.357 -167.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -118.02 -1.47 11.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 118.388 -1.325 . . . . 0.0 113.975 165.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.448 HD23 ' O ' ' C' ' 47' ' ' ILE . 3.4 mm? -125.43 -36.85 2.42 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.358 0.526 . . . . 0.0 112.366 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' ASN . . . . . 0.432 ' HB2' HD12 ' A' ' 51' ' ' LEU . 2.6 m-20 -128.83 -20.54 3.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -167.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.549 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 12.9 mtmt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.057 175.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.2 -2.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.491 0.663 . . . . 0.0 109.919 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 8' ' ' LEU . 18.9 tt -128.7 135.5 62.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.262 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 155.8 37.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.149 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -65.41 -9.04 21.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.901 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.36 -13.41 59.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.43 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -105.18 3.65 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 75.3 mt -119.32 -29.61 5.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.994 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -143.2 145.79 33.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.933 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.55 146.45 31.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.705 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.647 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.64 135.84 56.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.215 0.531 . . . . 0.0 111.464 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.595 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -64.57 172.59 2.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -170.701 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 39.3 Cg_exo -41.3 -46.7 5.6 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 123.621 2.881 . . . . 0.0 113.74 170.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.2 0.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 -174.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.656 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 11.4 p -114.67 37.75 3.33 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 117.893 -1.523 . . . . 0.0 114.229 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.647 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.35 22.23 3.48 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.186 0.517 . . . . 0.0 110.214 -178.263 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 -11.3 0.42 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.01 -33.81 1.13 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.667 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 82.48 23.15 57.18 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.972 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -146.17 163.4 35.5 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.59 0.71 . . . . 0.0 110.799 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' A' ' 24' ' ' THR . 34.1 mm -128.62 108.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 171.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 60.28 47.4 9.15 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.228 0.33 . . . . 0.0 111.085 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.45 9.21 29.83 Favored Glycine 0 N--CA 1.468 0.805 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.665 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -123.29 145.58 46.88 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.378 -0.911 . . . . 0.0 110.52 -169.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.14 131.54 43.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.906 2.404 . . . . 0.0 112.154 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.6 t -81.41 135.0 50.57 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -171.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -32.64 -58.75 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.892 4.395 . . . . 0.0 116.059 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.86 -11.39 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.412 -167.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 17.9 p -129.41 90.98 3.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 m -74.39 54.15 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.958 -0.464 . . . . 0.0 112.11 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 94.43 46.86 2.91 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.75 176.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -117.05 -42.23 2.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.79 -38.28 3.3 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 11' ' ' ALA . 31.1 m -117.24 165.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.888 0.375 . . . . 0.0 111.545 -176.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.595 HG23 ' SG ' ' A' ' 12' ' ' CYS . 3.3 pt -124.28 160.38 28.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.953 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 HD23 ' A' ' 44' ' ' LEU . 4.0 mp -86.28 167.72 14.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 113.137 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.0 p -104.44 179.98 4.11 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.115 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.04 99.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.462 0.574 . . . . 0.0 110.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.34 -42.43 98.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.504 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.43 69.84 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.595 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.622 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.1 m-85 -69.65 -33.78 73.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.6 m -69.3 -32.06 70.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.537 0.684 . . . . 0.0 109.693 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.73 -22.06 26.23 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -80.61 -44.16 19.38 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.313 -177.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.71 -23.51 60.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.75 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' C' ' 8' ' ' LEU . 66.1 t80 -75.14 -38.81 60.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.358 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.585 HG21 HG22 ' B' ' 47' ' ' ILE . 20.3 pt -79.29 -29.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.353 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 58.7 mm-40 -56.4 -56.99 14.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.982 169.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 24.1 ttmm -78.34 1.08 23.06 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -167.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.414 ' NE2' HD21 ' C' ' 36' ' ' LEU . 69.8 m80 -116.56 -1.95 12.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 118.224 -1.39 . . . . 0.0 114.232 167.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.433 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -120.45 -39.67 2.75 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.442 0.639 . . . . 0.0 111.114 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -29.86 3.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.46 -166.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.557 ' HE2' ' HB3' ' A' ' 48' ' ' GLN . 7.2 mtmm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.964 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.07 -3.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.796 0.808 . . . . 0.0 109.85 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.41 HD11 HD11 ' B' ' 8' ' ' LEU . 18.7 tt -127.47 135.4 63.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.382 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.63 156.46 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.116 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.4 -7.3 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.928 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.52 -14.19 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.24 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -105.16 3.99 30.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.5 . . . . 0.0 110.188 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.41 HD11 HD11 ' B' ' 3' ' ' ILE . 75.3 mt -120.35 -30.15 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -143.18 145.26 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.918 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.31 146.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.612 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.11 135.93 56.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.242 0.544 . . . . 0.0 111.536 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.614 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.8 OUTLIER -63.39 173.09 1.31 Allowed Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -170.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -41.15 -48.04 5.06 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 113.451 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 -0.03 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.7 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -113.75 38.65 2.89 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.167 -1.413 . . . . 0.0 114.303 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.612 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.82 22.65 3.48 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.432 -179.065 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -8.33 0.48 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.78 -35.48 0.87 Allowed 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.344 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.02 59.18 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.218 -0.992 . . . . 0.0 113.073 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -143.13 164.32 30.47 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.426 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.2 mm -129.61 109.52 18.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.008 171.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 58.85 49.0 10.41 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.43 0.456 . . . . 0.0 110.833 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.19 12.4 37.55 Favored Glycine 0 N--CA 1.466 0.654 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.466 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -127.97 144.74 52.57 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 114.304 -0.948 . . . . 0.0 111.1 -169.6 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.88 132.55 50.47 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.676 2.251 . . . . 0.0 111.808 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.6 t -82.74 135.18 46.12 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.745 -171.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -33.15 -59.7 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.772 1 C-N-CA 125.555 4.17 . . . . 0.0 115.992 -178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.71 -11.16 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.392 -167.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 14.6 p -129.25 90.71 3.06 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -74.74 54.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.882 -0.511 . . . . 0.0 112.014 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.05 2.53 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.629 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -119.1 -43.26 2.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.8 -38.5 3.16 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' B' ' 11' ' ' ALA . 31.1 m -117.3 165.4 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.814 0.34 . . . . 0.0 111.647 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.614 HG23 ' SG ' ' B' ' 12' ' ' CYS . 3.4 pt -124.49 159.98 29.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.026 175.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.438 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -86.3 167.14 15.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.828 0.823 . . . . 0.0 113.122 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -104.06 -179.75 4.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.269 -1.332 . . . . 0.0 107.936 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.06 99.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 118.465 0.575 . . . . 0.0 110.425 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.8 -42.91 98.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.58 -31.61 70.88 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.781 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.621 ' HA ' HD23 ' B' ' 44' ' ' LEU . 3.0 m-85 -69.66 -33.88 73.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 19.3 m -69.37 -31.78 70.4 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.575 0.703 . . . . 0.0 109.654 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.97 -21.69 26.03 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.827 -174.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.04 -44.55 17.88 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.31 -177.557 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.56 -23.55 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.564 -176.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 66.6 t80 -74.89 -39.01 61.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.585 HG22 HG21 ' A' ' 47' ' ' ILE . 21.1 pt -79.19 -29.06 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.434 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.574 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 57.8 mm-40 -56.64 -57.36 12.72 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 169.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.604 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 23.3 ttmm -78.8 1.91 21.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -167.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.439 ' NE2' HD21 ' A' ' 36' ' ' LEU . 69.0 m80 -116.51 -1.27 12.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 118.323 -1.351 . . . . 0.0 114.067 165.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.44 -37.43 2.91 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.524 0.602 . . . . 0.0 111.428 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASN . . . . . 0.411 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -128.45 -25.81 2.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.676 -166.73 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.604 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -105.47 -6.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.576 0.703 . . . . 0.0 109.856 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.427 HD11 HD11 ' C' ' 8' ' ' LEU . 18.9 tt -124.19 135.13 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.479 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.16 154.61 39.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.194 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -64.8 -9.47 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.013 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.85 -12.22 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.403 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.99 3.31 30.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.115 0.483 . . . . 0.0 110.252 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 76.2 mt -119.79 -29.97 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -142.94 145.2 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.055 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.38 147.56 31.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.08 133.71 52.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.14 0.495 . . . . 0.0 111.853 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.807 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -61.5 172.08 1.13 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.766 1.227 . . . . 0.0 113.757 -171.122 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.807 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 39.2 Cg_exo -40.8 -46.32 4.83 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 123.916 3.077 . . . . 0.0 114.503 170.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.77 0.4 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.727 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 8.3 p -115.51 40.18 2.79 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 120.745 -1.222 . . . . 0.0 113.84 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.652 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.56 22.38 3.5 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.242 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.88 -8.61 0.47 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.18 -33.33 1.02 Allowed 'General case' 0 C--N 1.348 0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.51 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.43 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 82.62 19.3 64.11 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.983 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.727 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.3 OUTLIER -142.62 163.71 32.09 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.568 0.699 . . . . 0.0 110.909 -178.588 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.449 ' O ' ' HB ' ' C' ' 24' ' ' THR . 30.5 mm -128.79 109.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 59.47 49.07 9.05 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.261 0.351 . . . . 0.0 110.943 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.33 12.57 32.51 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.636 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 0.9 OUTLIER -128.53 145.95 58.04 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 114.309 -0.946 . . . . 0.0 111.267 -169.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -58.22 130.74 39.31 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.701 2.268 . . . . 0.0 112.248 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 46.5 t -80.2 133.89 56.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.477 -171.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -32.57 -60.24 0.2 Allowed 'Trans proline' 0 CA--C 1.539 0.734 1 C-N-CA 125.334 4.023 . . . . 0.0 115.963 -178.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.17 -12.02 12.57 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 111.721 -166.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 14.6 p -129.78 93.13 3.45 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.3 m -74.47 54.11 0.57 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.034 0.445 . . . . 0.0 112.163 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.98 47.07 2.73 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.842 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -116.7 -42.16 3.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.21 -38.86 3.05 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' C' ' 11' ' ' ALA . 30.7 m -116.81 165.0 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.742 0.306 . . . . 0.0 111.488 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.63 159.87 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.882 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.426 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -86.17 168.02 14.37 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 37.1 p -104.24 179.79 4.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.259 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.28 99.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.436 0.562 . . . . 0.0 110.406 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -60.79 -42.3 97.32 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.392 174.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.15 -31.47 69.2 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.803 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.623 ' HA ' HD23 ' C' ' 44' ' ' LEU . 3.1 m-85 -69.98 -32.62 70.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 19.2 m -69.99 -32.32 70.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.509 0.671 . . . . 0.0 109.805 173.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.4 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.5 mp -86.76 -22.31 26.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.919 -174.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -80.21 -44.52 19.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.392 -177.729 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.7 -23.58 60.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.686 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' B' ' 8' ' ' LEU . 65.8 t80 -75.33 -38.77 60.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.34 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.582 HG21 HG22 ' A' ' 47' ' ' ILE . 21.4 pt -79.09 -29.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.419 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.553 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 58.8 mm-40 -56.16 -57.54 11.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.853 168.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 23.9 ttmm -78.65 1.86 21.4 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.419 ' NE2' HD21 ' B' ' 36' ' ' LEU . 70.5 m80 -116.46 -2.05 12.12 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.027 -1.469 . . . . 0.0 113.811 166.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.448 HD21 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -120.65 -41.58 2.57 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.186 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.48 -25.5 4.04 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.424 -166.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.4 mtmm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.136 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.479 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.412 HG12 ' OE1' ' B' ' 39' ' ' GLN . 9.9 p -107.55 9.86 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 122.172 0.986 . . . . 0.0 108.866 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.33 133.64 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.42 149.68 44.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -61.2 -20.1 62.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.677 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -82.31 -3.49 55.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -102.85 -17.5 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 111.07 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -113.41 -12.22 13.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 0.0 110.272 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -135.19 136.79 42.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.75 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.66 147.42 32.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.689 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.26 134.06 53.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.035 0.445 . . . . 0.0 110.91 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.932 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 t -67.74 162.31 58.95 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 124.184 0.994 . . . . 0.0 111.774 -171.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.932 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 24.2 Cg_exo -34.94 -42.79 0.36 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.773 2.982 . . . . 0.0 114.85 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.56 -3.3 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -171.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 8.1 p -119.35 44.11 2.44 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.309 -1.356 . . . . 0.0 113.968 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.689 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -89.14 20.54 3.64 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.625 0.25 . . . . 0.0 111.261 -175.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.87 -13.58 0.27 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -174.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.42 -52.42 2.77 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -168.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 12.93 39.88 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.409 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.5 pt-20 -164.82 171.8 13.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 24' ' ' THR . 48.1 mt -140.15 124.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 170.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 53.47 43.49 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.667 0.605 . . . . 0.0 111.23 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 66.4 5.92 31.45 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.287 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -124.83 159.31 59.17 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 117.569 0.685 . . . . 0.0 111.237 -176.83 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.61 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.4 Cg_endo -56.63 134.03 61.78 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.051 2.501 . . . . 0.0 112.117 176.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.86 133.59 43.21 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.772 -172.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -28.22 -57.62 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 126.215 4.61 . . . . 0.0 116.242 -176.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.1 -12.51 12.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.827 0.676 . . . . 0.0 112.827 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 19.8 p -127.58 -1.61 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.383 -0.927 . . . . 0.0 113.047 -176.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t 64.34 -64.88 0.14 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.57 30.16 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -167.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 47.0 mtmt -100.87 -28.12 12.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.247 0.546 . . . . 0.0 109.76 -176.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.27 -39.76 2.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.492 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.81 165.23 11.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 122.525 -0.397 . . . . 0.0 111.486 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 29' ' ' CYS . 22.2 pt -127.01 159.46 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 175.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 44' ' ' LEU . 5.1 mp -87.83 164.87 15.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.654 0.74 . . . . 0.0 112.627 -174.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.403 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 69.8 p -105.07 173.91 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.058 173.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -55.57 -46.07 77.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.537 0.608 . . . . 0.0 110.994 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' OE1' HG12 ' C' ' 2' ' ' VAL . 50.6 tp60 -50.27 -53.75 26.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.658 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.48 -30.36 77.66 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.469 -0.787 . . . . 0.0 113.227 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.5 m-85 -70.51 -32.2 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.052 0.426 . . . . 0.0 111.583 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.3 m -69.54 -30.65 68.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 0.0 110.036 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -87.14 -13.91 42.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.574 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.86 -43.21 14.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.033 178.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.59 -23.2 62.53 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.32 0.581 . . . . 0.0 110.309 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.14 -43.06 58.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.321 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.639 HG21 HG22 ' B' ' 47' ' ' ILE . 17.9 pt -79.23 -28.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.983 -176.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 20.2 mm-40 -55.46 -55.47 31.41 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.679 168.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.02 -6.24 51.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.904 -165.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.45 ' CE1' HD21 ' C' ' 36' ' ' LEU . 20.3 m80 -116.46 -1.57 12.22 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.494 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -118.32 -49.58 2.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.69 0.757 . . . . 0.0 110.521 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -113.08 -30.28 7.04 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.484 -167.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.527 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' FME . . . . . 0.493 ' HB3' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.68 9.25 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.177 0.989 . . . . 0.0 109.002 174.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.09 134.37 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.016 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.15 148.98 46.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.178 0.513 . . . . 0.0 110.038 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -60.53 -20.33 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.545 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -82.52 -3.23 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.4 -173.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -103.68 -16.76 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.88 -12.48 13.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.542 . . . . 0.0 110.3 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -135.27 136.66 41.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.785 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.93 146.93 33.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.692 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.5 133.11 51.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 0.0 110.897 -177.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.953 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 8.5 t -65.4 163.26 34.24 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.831 0.852 . . . . 0.0 112.166 -171.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.953 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 27.4 Cg_exo -35.93 -43.17 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.516 2.81 . . . . 0.0 114.912 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.49 -3.96 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.484 ' O ' ' HA2' ' B' ' 33' ' ' GLY . 7.6 p -118.48 43.96 2.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 117.85 -1.54 . . . . 0.0 113.638 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.692 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.33 19.95 4.1 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 122.197 -0.314 . . . . 0.0 111.527 -175.609 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.7 -13.07 0.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.78 -52.46 2.76 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -167.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.02 12.74 41.93 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.128 -1.034 . . . . 0.0 112.34 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.8 pt-20 -165.39 171.78 13.01 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.669 ' O ' HG22 ' B' ' 24' ' ' THR . 44.8 mt -141.12 125.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 53.28 43.07 31.96 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.713 0.633 . . . . 0.0 111.0 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.46 7.16 31.93 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.558 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.669 HG22 ' O ' ' B' ' 21' ' ' ILE . 1.2 t -125.24 157.85 65.93 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 117.451 0.626 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.571 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.3 Cg_endo -55.72 134.96 67.14 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.689 2.259 . . . . 0.0 111.746 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 9.9 t -86.79 134.09 38.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.015 -172.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -27.12 -59.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 126.068 4.512 . . . . 0.0 116.339 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.9 -12.87 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -166.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' B' ' 35' ' ' ILE . 21.4 p -126.81 -1.88 6.62 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.443 -0.903 . . . . 0.0 113.066 -176.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t 64.51 -65.07 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.643 0.589 . . . . 0.0 112.486 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.97 35.17 0.04 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 47.5 mtmt -105.13 -29.3 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.41 0.624 . . . . 0.0 109.981 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.18 -39.78 2.76 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.543 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -115.07 164.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.913 0.387 . . . . 0.0 111.254 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' B' ' 29' ' ' CYS . 21.0 pt -126.74 159.76 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.45 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.493 HD22 HD23 ' B' ' 44' ' ' LEU . 5.2 mp -87.61 165.52 15.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.515 0.674 . . . . 0.0 112.472 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -105.36 173.94 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.168 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 1' ' ' FME . . . -55.33 -46.21 76.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.457 0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.412 ' OE1' HG12 ' A' ' 2' ' ' VAL . 48.0 tp60 -50.29 -53.34 29.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.723 172.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.19 77.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.26 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' B' ' 44' ' ' LEU . 5.0 m-85 -70.55 -32.61 70.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.992 0.396 . . . . 0.0 111.552 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -69.15 -31.12 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.9 -13.6 44.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.437 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -85.02 -43.38 14.0 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.047 178.867 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.71 -22.97 62.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.3 0.572 . . . . 0.0 110.303 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.08 -43.3 58.2 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.325 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' ILE . 17.7 pt -79.34 -28.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.879 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 19.9 mm-40 -55.4 -55.83 27.11 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 27.8 ttmt -77.31 -5.51 49.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.047 -165.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.451 ' CE1' HD21 ' A' ' 36' ' ' LEU . 20.3 m80 -116.51 -2.0 12.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 118.067 -1.453 . . . . 0.0 113.381 171.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.6 mm? -117.78 -51.12 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.782 0.801 . . . . 0.0 110.421 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.9 -28.54 8.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.48 -167.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.5 mtmt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.719 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' FME . . . . . 0.548 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' VAL . . . . . 0.473 HG12 ' OE1' ' A' ' 39' ' ' GLN . 9.9 p -106.49 10.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 122.239 1.019 . . . . 0.0 108.932 174.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 tt -140.38 133.88 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.733 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.85 150.92 45.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.068 0.461 . . . . 0.0 110.042 177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -61.9 -20.2 63.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.533 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.15 -4.16 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.35 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.24 -15.35 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.916 0.388 . . . . 0.0 110.972 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.6 -11.9 12.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.274 0.559 . . . . 0.0 110.421 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -135.75 137.29 41.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.786 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.46 146.55 33.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.35 133.45 52.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.07 0.462 . . . . 0.0 110.774 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.944 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 9.0 t -66.32 162.78 45.41 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 124.24 1.016 . . . . 0.0 111.808 -170.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.944 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 23.5 Cg_exo -35.06 -43.36 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.83 3.02 . . . . 0.0 114.851 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' C' ' 21' ' ' ILE . 0.0 OUTLIER -161.08 -4.1 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.459 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 14.4 p -118.18 43.32 2.48 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 117.845 -1.542 . . . . 0.0 114.179 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.66 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -88.82 20.16 3.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.694 0.283 . . . . 0.0 111.165 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -14.7 0.33 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -174.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.77 -52.67 2.74 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 13.05 39.48 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.543 -172.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -164.54 172.69 12.93 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.799 0.44 . . . . 0.0 109.942 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.576 ' O ' HG22 ' C' ' 24' ' ' THR . 45.3 mt -141.9 125.46 15.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 53.42 43.24 31.61 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.71 0.631 . . . . 0.0 111.067 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.21 11.4 39.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.412 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.589 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.8 OUTLIER -128.28 157.63 73.84 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 117.435 0.618 . . . . 0.0 111.26 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 25' ' ' PRO . . . . . 0.589 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 19.2 Cg_endo -56.56 133.67 59.48 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.06 2.507 . . . . 0.0 112.067 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.87 134.38 41.68 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -28.37 -59.3 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.774 1 C-N-CA 126.119 4.546 . . . . 0.0 116.19 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.42 -12.97 13.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -166.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.402 ' HB3' ' CG2' ' C' ' 35' ' ' ILE . 20.7 p -127.08 -2.4 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.357 -0.937 . . . . 0.0 113.054 -176.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 42.6 t 64.29 -65.19 0.13 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.21 31.43 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -168.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.416 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 46.4 mtmt -101.97 -28.97 12.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.377 0.608 . . . . 0.0 109.891 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.5 -39.84 2.75 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.458 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.04 164.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.9 0.381 . . . . 0.0 111.587 -176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 22.0 pt -127.14 159.36 37.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.505 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.488 HD22 HD23 ' C' ' 44' ' ' LEU . 5.2 mp -87.64 165.43 15.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.52 0.676 . . . . 0.0 112.499 -173.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' THR . . . . . 0.405 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 74.6 p -105.24 174.52 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.154 173.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' B' ' 1' ' ' FME . . . -56.36 -45.43 80.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.627 0.649 . . . . 0.0 110.902 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -50.41 -53.54 28.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.34 77.68 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.235 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.557 ' HA ' HD23 ' C' ' 44' ' ' LEU . 5.3 m-85 -70.53 -32.49 69.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.031 0.415 . . . . 0.0 111.601 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 56.3 m -69.31 -31.02 69.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.492 0.663 . . . . 0.0 109.981 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -87.01 -13.5 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.509 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -85.11 -43.33 13.97 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.001 179.014 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.78 -23.29 62.36 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.182 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -73.96 -43.0 59.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.315 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.625 HG21 HG22 ' A' ' 47' ' ' ILE . 17.6 pt -79.26 -27.83 13.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.959 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 20.3 mm-40 -55.77 -55.39 32.98 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.667 168.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.448 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 27.4 ttmt -77.49 -5.33 49.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.903 -165.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.459 ' CE1' HD21 ' B' ' 36' ' ' LEU . 20.5 m80 -116.79 -1.92 11.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.14 -1.424 . . . . 0.0 113.627 171.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.435 HD23 ' O ' ' C' ' 47' ' ' ILE . 3.6 mm? -117.96 -47.33 2.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.777 0.799 . . . . 0.0 110.726 173.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -30.06 6.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.405 -167.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.445 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 19.6 mtmt . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.858 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.543 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -106.51 6.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.235 1.017 . . . . 0.0 108.99 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 tt -138.44 131.93 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.218 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.26 150.22 42.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.196 0.522 . . . . 0.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -63.92 -17.91 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.296 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.94 -4.45 56.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.128 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.33 -15.84 15.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.207 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.51 -16.77 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' OE2' ' NE2' ' B' ' 50' ' ' HIS . 96.7 mt-10 -133.12 135.68 45.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.123 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.76 142.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.535 ' HB1' ' CB ' ' A' ' 16' ' ' GLU . . . -63.66 135.21 56.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -59.56 166.88 2.81 Favored Pre-proline 0 N--CA 1.455 -0.204 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -170.608 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -46.67 -34.51 15.52 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.066 2.511 . . . . 0.0 113.824 172.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CE ' HG23 ' A' ' 21' ' ' ILE . 58.5 tttp -154.49 -24.93 0.12 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 5.7 p -117.9 45.14 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -172.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.711 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.9 26.61 1.77 Allowed 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -172.219 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -15.67 0.35 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.13 -31.14 5.12 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.829 -176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.02 12.79 65.36 Favored Glycine 0 C--O 1.218 -0.899 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.35 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.664 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 6.3 mm-40 -162.45 169.18 20.82 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' THR . 25.8 mt -135.46 122.79 35.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 56.48 44.29 24.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.108 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.92 5.34 39.06 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.382 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -120.77 141.4 32.36 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 114.366 -0.917 . . . . 0.0 111.343 -169.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.664 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -57.01 128.33 29.45 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.778 2.318 . . . . 0.0 111.744 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 44.3 t -80.45 139.09 51.48 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.074 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.0 Cg_exo -31.39 -58.05 0.21 Allowed 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 125.838 4.359 . . . . 0.0 115.964 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.01 -5.75 6.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.759 -165.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 21.3 p -129.17 87.11 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -73.58 52.61 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 0.0 112.051 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 99.79 52.72 1.17 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.916 174.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' B' ' 49' ' ' LYS . 28.2 mtmm -127.99 -41.53 1.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 117.136 0.468 . . . . 0.0 109.853 175.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.711 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.37 -38.6 3.18 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.2 167.39 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.21 0.528 . . . . 0.0 111.649 -175.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.499 HG23 ' SG ' ' A' ' 12' ' ' CYS . 6.6 pt -127.41 160.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.836 172.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD22 HD23 ' A' ' 44' ' ' LEU . 4.5 mp -86.94 165.08 16.15 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.355 0.598 . . . . 0.0 112.383 -172.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.1 p -105.2 174.44 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -54.15 -43.52 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.48 0.582 . . . . 0.0 111.958 -176.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.33 -44.58 95.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.694 0.283 . . . . 0.0 110.803 175.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.52 -29.93 73.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.0 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.2 m-85 -68.82 -35.08 76.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.605 0.24 . . . . 0.0 111.094 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 m -70.26 -31.85 69.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.376 0.608 . . . . 0.0 110.325 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.6 mp -87.06 -13.04 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.098 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.673 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -90.65 -43.3 10.25 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.038 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.61 -19.14 62.16 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.505 -0.747 . . . . 0.0 109.79 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -75.13 -43.76 50.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.362 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.74 HD13 HD21 ' B' ' 51' ' ' LEU . 1.5 pp -80.47 -22.34 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 118.724 -1.19 . . . . 0.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.1 mm-40 -57.84 -60.35 3.84 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 166.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 28.9 ttmt -77.3 -0.69 26.44 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.512 -166.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.41 ' NE2' ' OE2' ' C' ' 9' ' ' GLU . 75.5 m-70 -118.49 -2.25 11.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 118.37 -1.332 . . . . 0.0 113.912 166.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD21 HD13 ' C' ' 47' ' ' ILE . 2.6 mm? -125.01 -55.27 1.59 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.34 0.518 . . . . 0.0 111.243 174.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.47 -12.43 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -167.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 2.3 mtmm . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' FME . . . . . 0.554 ' HB3' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.26 7.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.301 1.048 . . . . 0.0 108.944 174.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -139.44 131.63 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.338 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.55 148.81 44.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.095 0.474 . . . . 0.0 110.191 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -62.85 -17.94 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.385 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.01 -4.57 57.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -103.69 -15.53 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.415 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -112.58 -15.71 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.409 ' OE2' ' NE2' ' C' ' 50' ' ' HIS . 96.7 mt-10 -133.9 135.29 43.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.211 176.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.23 142.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' B' ' 16' ' ' GLU . . . -64.05 134.22 54.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.004 0.43 . . . . 0.0 110.371 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.66 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.94 165.57 4.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -170.397 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.66 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 61.9 Cg_exo -44.88 -35.21 9.58 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.171 2.581 . . . . 0.0 114.169 174.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -154.72 -25.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -165.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.506 ' HB3' ' CG1' ' B' ' 21' ' ' ILE . 20.5 p -117.31 44.62 2.07 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -171.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.704 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.98 26.18 2.2 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -170.304 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -13.54 0.43 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.3 -34.15 3.92 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.879 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.429 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.89 10.99 59.43 Favored Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.735 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.623 ' OE1' ' HA ' ' B' ' 25' ' ' PRO . 6.5 mm-40 -163.69 170.49 16.97 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -172.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' B' ' 24' ' ' THR . 27.0 mt -137.52 122.69 24.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -174.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 57.93 43.2 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.739 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.57 5.33 29.54 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.08 140.21 29.54 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 114.182 -1.009 . . . . 0.0 110.967 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.623 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 18.3 Cg_endo -56.51 127.26 25.2 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.935 2.423 . . . . 0.0 112.394 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.447 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 53.2 t -80.94 137.89 49.95 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 69.7 Cg_exo -31.29 -56.66 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 125.916 4.411 . . . . 0.0 116.313 -178.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.52 -6.3 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.5 . . . . 0.0 111.83 -166.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 31.1 p -129.97 86.68 2.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -74.3 54.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.154 0.502 . . . . 0.0 111.946 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 100.3 50.32 1.34 Allowed Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.179 173.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' C' ' 49' ' ' LYS . 28.8 mtmm -125.97 -39.82 2.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.425 0.613 . . . . 0.0 110.044 175.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.704 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.33 -38.81 3.12 Favored Glycine 0 N--CA 1.437 -1.273 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.0 m -115.0 167.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.058 0.456 . . . . 0.0 111.705 -175.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.3 pt -127.3 160.49 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.718 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.427 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -86.84 165.5 15.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.508 0.67 . . . . 0.0 112.543 -172.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.6 p -105.29 174.33 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.31 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 1' ' ' FME . . . -55.37 -43.02 74.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.505 0.593 . . . . 0.0 111.791 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.21 -43.92 95.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 174.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.22 -30.22 71.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.964 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.582 ' HA ' HD23 ' B' ' 44' ' ' LEU . 12.9 m-85 -68.9 -34.2 75.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.571 0.224 . . . . 0.0 111.114 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -70.79 -31.88 68.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.397 0.617 . . . . 0.0 110.335 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 47' ' ' ILE . 4.7 mp -86.92 -13.62 44.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.09 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -90.28 -43.39 10.4 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 120.644 -0.423 . . . . 0.0 109.957 -177.068 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.73 -18.73 62.12 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -75.29 -44.0 48.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.449 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.746 HD13 HD21 ' C' ' 51' ' ' LEU . 1.6 pp -80.46 -22.57 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.104 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -57.28 -60.98 2.81 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.635 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 28.3 ttmt -77.45 -0.28 25.38 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.479 -166.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.411 ' NE2' ' OE2' ' A' ' 9' ' ' GLU . 74.4 m-70 -118.08 -1.91 11.33 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 118.538 -1.265 . . . . 0.0 114.023 165.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.74 HD21 HD13 ' A' ' 47' ' ' ILE . 2.6 mm? -125.6 -56.05 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.402 0.546 . . . . 0.0 111.117 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -109.7 -11.33 14.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -167.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.635 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 2.5 mtmm . . . . . 0 C--O 1.246 0.918 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' FME . . . . . 0.482 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.13 2.96 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.281 1.039 . . . . 0.0 108.844 175.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.03 131.94 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.408 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.77 149.15 44.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.166 0.508 . . . . 0.0 110.389 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -62.48 -17.9 60.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.402 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.67 -5.36 58.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -103.15 -15.83 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.52 -16.58 12.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.053 0.454 . . . . 0.0 110.813 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLU . . . . . 0.41 ' OE2' ' NE2' ' A' ' 50' ' ' HIS . 96.4 mt-10 -133.25 134.09 43.52 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.368 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.15 142.45 43.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' C' ' 16' ' ' GLU . . . -64.07 133.96 54.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.034 0.445 . . . . 0.0 110.375 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.639 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -58.9 166.89 2.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -170.687 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.639 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 76.0 Cg_exo -47.37 -33.61 17.2 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.051 2.501 . . . . 0.0 114.021 173.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' LYS . . . . . 0.402 ' CE ' HG23 ' C' ' 21' ' ' ILE . 58.8 tttp -154.84 -25.26 0.12 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -166.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.55 45.42 1.93 Allowed 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -172.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.695 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.07 27.02 1.7 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.139 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.9 -15.37 0.36 Allowed 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.99 -33.92 4.58 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.871 -177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.26 10.52 60.79 Favored Glycine 0 C--O 1.217 -0.953 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.518 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.64 ' OE1' ' HA ' ' C' ' 25' ' ' PRO . 6.6 mm-40 -162.83 169.49 19.76 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.568 ' O ' ' HB ' ' C' ' 24' ' ' THR . 21.2 mt -136.78 123.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 120.747 0.308 . . . . 0.0 110.394 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 55.62 46.46 22.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.975 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.93 11.25 50.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.122 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.568 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.6 m -126.87 139.74 35.78 Favored Pre-proline 0 C--N 1.303 -1.417 0 CA-C-N 114.066 -1.067 . . . . 0.0 111.494 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' PRO . . . . . 0.64 ' HA ' ' OE1' ' C' ' 20' ' ' GLU . 19.1 Cg_endo -56.98 126.43 22.19 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.958 2.438 . . . . 0.0 111.846 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.465 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 54.0 t -79.99 139.06 53.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.465 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 70.0 Cg_exo -30.79 -58.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 1 C-N-CA 125.996 4.464 . . . . 0.0 116.137 -179.443 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.6 -6.55 6.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.199 0.524 . . . . 0.0 111.696 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 31.2 p -128.99 85.54 2.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -74.1 54.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.091 0.472 . . . . 0.0 111.758 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.45 52.76 1.19 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.797 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 49' ' ' LYS . 29.7 mtmm -128.19 -41.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.286 0.543 . . . . 0.0 109.924 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.695 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.52 -38.83 3.08 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -176.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.5 m -114.91 167.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.034 0.445 . . . . 0.0 111.583 -175.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 pt -127.44 160.12 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.811 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.404 HD22 HD23 ' C' ' 44' ' ' LEU . 4.5 mp -86.73 165.13 16.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.301 0.572 . . . . 0.0 112.216 -172.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -105.2 175.67 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' B' ' 1' ' ' FME . . . -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.599 0.636 . . . . 0.0 111.793 -176.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.77 -43.51 97.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.628 0.252 . . . . 0.0 110.734 174.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.23 72.02 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.906 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.585 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.7 m-85 -68.89 -34.92 76.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.501 0.191 . . . . 0.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -70.24 -31.54 68.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 0.0 110.248 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.588 ' O ' HG13 ' C' ' 47' ' ' ILE . 4.5 mp -87.17 -12.82 45.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.029 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.3 OUTLIER -91.18 -43.05 10.1 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.046 -177.055 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.56 -19.27 62.18 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.526 -0.734 . . . . 0.0 109.718 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -75.18 -43.77 50.28 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.324 173.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.758 HD13 HD21 ' A' ' 51' ' ' LEU . 1.5 pp -80.32 -22.44 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.158 -178.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 75.2 mm-40 -57.5 -61.06 2.77 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 166.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.3 ttmt -77.47 -0.3 25.52 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.485 -166.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.409 ' NE2' ' OE2' ' B' ' 9' ' ' GLU . 73.0 m-70 -118.13 -1.75 11.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 118.658 -1.217 . . . . 0.0 113.82 166.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.746 HD21 HD13 ' B' ' 47' ' ' ILE . 2.6 mm? -125.49 -57.95 1.45 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.325 0.511 . . . . 0.0 110.817 174.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -108.1 -12.09 15.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -167.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.595 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 1.8 mtmm . . . . . 0 C--O 1.246 0.875 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -111.6 -24.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.47 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -123.73 138.76 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 -175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.15 160.49 23.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.504 173.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -66.47 -13.1 60.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.083 0.468 . . . . 0.0 110.763 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.67 -4.12 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.97 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -101.62 -7.36 22.78 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 110.646 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -114.71 -20.26 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.456 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -146.16 143.71 29.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.04 148.98 31.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.013 -174.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.54 131.07 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.153 0.502 . . . . 0.0 111.15 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.795 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 t -67.51 156.94 87.45 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.795 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 44.4 Cg_exo -36.65 -37.77 0.31 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 123.747 2.965 . . . . 0.0 115.101 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -144.05 -30.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.97 44.22 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -165.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.65 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.06 24.77 2.69 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.333 -177.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.78 -7.56 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -173.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.26 -40.21 0.82 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.967 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.77 15.47 56.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.643 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -152.83 162.52 41.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.399 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.571 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.8 mt -140.29 121.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 58.19 43.17 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.867 0.73 . . . . 0.0 111.027 -174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.2 11.58 9.66 Favored Glycine 0 CA--C 1.504 -0.601 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.809 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.571 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.72 144.93 36.5 Favored Pre-proline 0 C--N 1.305 -1.34 0 CA-C-N 114.978 -0.611 . . . . 0.0 111.199 -170.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.45 126.33 22.14 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.981 2.454 . . . . 0.0 111.122 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 35.1 t -82.03 140.44 46.36 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.711 -166.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 78.5 Cg_exo -30.31 -58.23 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.22 1 C-N-CA 125.997 4.464 . . . . 0.0 116.145 -177.514 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.74 -4.69 7.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.668 -168.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 13.8 p -132.35 95.25 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -77.51 53.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.029 0.442 . . . . 0.0 111.456 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.06 41.77 3.69 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.273 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -111.36 -43.12 3.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.38 0.61 . . . . 0.0 109.401 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.67 -38.71 2.92 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -174.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.47 163.8 11.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 0.0 112.094 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 pt -123.51 161.1 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.062 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 44' ' ' LEU . 3.7 mp -88.02 158.2 18.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.523 0.677 . . . . 0.0 112.386 -173.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -106.6 175.67 5.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.499 -1.228 . . . . 0.0 107.889 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.65 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -57.81 -43.55 85.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.12 0.486 . . . . 0.0 110.507 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.25 -29.33 73.19 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.934 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.597 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -70.01 -33.31 71.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.537 0.208 . . . . 0.0 111.188 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -70.63 -32.06 69.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.692 175.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.08 -15.8 40.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.023 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -83.39 -41.6 17.97 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.997 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.12 -25.33 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.524 . . . . 0.0 110.705 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 68.9 t80 -74.81 -40.66 60.96 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.953 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.647 HG21 HG22 ' B' ' 47' ' ' ILE . 19.2 pt -80.09 -27.38 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.773 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.8 mm-40 -55.3 -60.24 3.67 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 11.2 ttpp -78.88 2.02 21.51 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.594 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.472 ' CE1' HD21 ' C' ' 36' ' ' LEU . 70.8 m-70 -116.88 -2.13 11.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 117.842 -1.543 . . . . 0.0 114.569 164.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.4 mm? -122.19 -50.63 2.01 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.562 0.619 . . . . 0.0 111.11 174.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.567 -168.664 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.7 mtmt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.393 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -107.65 -24.84 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.006 0.431 . . . . 0.0 111.619 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -123.7 139.18 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 159.8 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -64.0 -14.88 57.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.153 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -83.51 -4.15 58.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -101.88 -4.39 26.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.99 0.424 . . . . 0.0 110.587 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 94.4 mt -116.88 -20.6 9.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.147 0.499 . . . . 0.0 110.24 177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -145.88 145.74 30.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.52 149.53 29.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.667 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.05 130.53 45.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.248 0.547 . . . . 0.0 111.283 -176.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.833 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 38.8 t -65.84 157.04 81.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.084 0.954 . . . . 0.0 112.427 -169.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.833 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -37.24 -39.41 0.57 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.586 2.857 . . . . 0.0 114.831 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -142.6 -29.92 0.55 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -166.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 17.3 p -116.97 46.08 1.74 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -168.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.667 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 24.84 2.47 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 120.903 0.383 . . . . 0.0 109.995 -177.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.59 -14.37 0.44 Allowed 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -171.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.01 -41.66 1.78 Allowed 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.302 -0.863 . . . . 0.0 113.205 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.0 15.15 55.01 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.671 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.3 pt-20 -153.57 164.83 37.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.053 0.454 . . . . 0.0 110.258 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.575 ' O ' ' HB ' ' B' ' 24' ' ' THR . 21.9 mt -143.41 121.17 6.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 57.45 43.7 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.935 0.772 . . . . 0.0 110.619 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 12.84 8.93 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.692 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.575 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.98 143.1 36.05 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.677 -0.762 . . . . 0.0 110.803 -167.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.46 121.44 9.94 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.147 2.565 . . . . 0.0 111.598 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.8 t -76.58 139.38 67.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.19 -0.913 . . . . 0.0 113.191 -168.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 71.4 Cg_exo -28.62 -59.41 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 126.155 4.57 . . . . 0.0 116.266 -178.469 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.02 -9.37 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.363 0.602 . . . . 0.0 111.661 -167.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 28.7 p -131.02 96.08 3.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.3 t -79.65 53.85 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 111.219 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.68 3.05 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.843 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 34' ' ' VAL . 46.7 mtmt -113.68 -44.06 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.07 -39.03 2.79 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -173.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.425 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 28.7 m -113.94 163.43 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 112.076 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.6 pt -123.75 160.42 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.809 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' B' ' 44' ' ' LEU . 3.7 mp -87.58 157.87 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.543 0.687 . . . . 0.0 112.527 -173.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -107.06 173.51 6.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.038 170.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.87 70.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -58.84 -43.71 90.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 110.667 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.06 -29.1 73.26 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.55 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -70.37 -33.03 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.78 -0.247 . . . . 0.0 111.37 177.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -70.5 -31.64 68.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.245 0.545 . . . . 0.0 110.726 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.08 -17.87 33.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -82.07 -40.88 21.34 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.136 178.7 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.03 -25.59 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.311 0.576 . . . . 0.0 110.69 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 69.0 t80 -74.81 -41.11 60.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 176.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.647 HG22 HG21 ' A' ' 47' ' ' ILE . 18.9 pt -79.99 -27.3 12.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.747 -177.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.6 mm-40 -55.16 -60.43 3.39 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 166.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.605 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 11.9 ttpp -78.97 1.74 22.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.666 -166.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.459 ' CE1' HD21 ' A' ' 36' ' ' LEU . 71.6 m-70 -116.49 -1.65 12.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.011 -1.475 . . . . 0.0 114.421 164.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.4 mm? -122.59 -52.91 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.625 0.648 . . . . 0.0 110.979 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -110.42 -18.24 13.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.573 -168.368 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.605 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.6 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.403 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -113.25 -22.29 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.39 138.92 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.35 160.63 23.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -65.57 -13.94 60.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.014 0.435 . . . . 0.0 111.063 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.34 -4.25 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.826 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -103.05 -3.29 26.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.0 mt -117.06 -20.44 9.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 0.0 110.259 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -145.71 145.83 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.425 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -134.27 148.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.201 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.657 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.42 130.71 45.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 0.0 111.173 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.869 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 12.4 t -67.82 157.42 86.57 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.869 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.5 Cg_exo -36.2 -39.92 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.824 3.016 . . . . 0.0 114.646 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -142.79 -28.74 0.57 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 4.8 p -115.74 43.84 2.02 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.657 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.8 24.17 2.83 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.002 0.43 . . . . 0.0 110.374 -177.635 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 -11.98 0.45 Allowed 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.48 -40.26 1.43 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.381 -0.827 . . . . 0.0 113.157 -172.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.95 57.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.422 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.7 pt-20 -152.27 165.58 34.45 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.11 -177.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.566 HD12 ' SG ' ' C' ' 26' ' ' CYS . 16.4 mt -143.77 122.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 173.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 58.13 42.95 21.42 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.889 0.743 . . . . 0.0 110.79 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.55 15.81 9.41 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.632 -176.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.556 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -122.52 144.18 41.6 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.26 -169.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.26 122.04 11.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.23 2.62 . . . . 0.0 111.484 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' C' ' 21' ' ' ILE . 43.9 t -80.49 139.17 51.38 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.974 -167.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.555 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 84.3 Cg_exo -28.73 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.076 1 C-N-CA 126.157 4.572 . . . . 0.0 116.449 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.75 -7.27 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.372 0.606 . . . . 0.0 111.671 -168.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.4 p -131.01 94.44 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 27.2 t -77.78 54.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.34 45.3 3.04 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.954 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.422 ' HE3' ' O ' ' C' ' 34' ' ' VAL . 49.1 mtmt -113.47 -44.87 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.54 -38.86 2.81 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -173.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.422 ' O ' ' HE3' ' C' ' 32' ' ' LYS . 27.7 m -114.14 163.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 0.0 112.069 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.6 160.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.912 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.571 HD22 HD23 ' C' ' 44' ' ' LEU . 3.7 mp -87.69 158.04 18.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.586 0.708 . . . . 0.0 112.493 -173.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.8 173.73 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.104 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.66 70.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -57.14 -46.1 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.727 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -28.44 73.75 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.224 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -70.09 -33.47 71.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.752 -0.263 . . . . 0.0 111.092 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -70.22 -31.54 69.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.213 0.53 . . . . 0.0 110.853 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.03 -17.45 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 -177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.29 -40.78 21.02 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.123 178.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.35 -25.48 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 0.0 110.799 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 69.3 t80 -74.76 -41.0 60.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.026 176.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.86 -27.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.803 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.1 -60.34 3.52 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 166.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.608 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 11.6 ttpp -79.18 1.89 22.93 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.629 -166.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.444 ' CE1' HD21 ' B' ' 36' ' ' LEU . 72.4 m-70 -116.62 -2.39 11.96 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.844 -1.542 . . . . 0.0 114.428 164.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.4 mm? -122.11 -51.5 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.479 0.657 . . . . 0.0 111.022 174.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 52' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -111.44 -18.83 12.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.67 -168.663 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.608 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.0 mtmt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.826 175.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 -7.81 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.481 0.658 . . . . 0.0 110.538 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.85 136.83 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.38 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.6 172.49 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 175.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 m -62.26 -24.95 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.265 0.555 . . . . 0.0 110.733 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.25 -3.67 55.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.444 -172.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.69 0.1 35.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 110.589 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 87.5 mt -125.2 -28.74 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -142.96 147.24 34.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.306 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -127.57 140.15 49.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.571 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -65.23 137.48 57.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 111.164 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -59.46 169.72 1.25 Allowed Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -48.34 -37.6 32.62 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.985 2.457 . . . . 0.0 113.75 173.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.41 -13.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -167.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 23.0 p -117.16 43.31 2.34 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 119.051 0.841 . . . . 0.0 112.965 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -92.3 29.23 1.72 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.158 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' H ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -148.46 -18.52 0.33 Allowed 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -174.465 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -132.73 -29.42 1.51 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.489 -175.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 80.86 26.43 53.52 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 120.599 -0.81 . . . . 0.0 114.273 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 5.7 pt-20 -138.54 159.89 40.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.564 0.697 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.554 ' O ' ' HB ' ' A' ' 24' ' ' THR . 47.9 mm -127.31 109.17 19.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.186 169.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 61.76 46.72 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.422 0.451 . . . . 0.0 111.372 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.58 -1.47 14.47 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.496 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.9 m -118.62 147.47 42.14 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 115.267 -0.466 . . . . 0.0 111.738 -168.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -55.15 125.43 19.15 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.295 2.664 . . . . 0.0 112.254 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 52.0 t -74.15 137.98 75.59 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -171.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -29.95 -54.26 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 126.327 4.685 . . . . 0.0 116.212 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.77 -9.64 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.748 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 26.8 p -132.05 98.79 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.786 0.326 . . . . 0.0 110.149 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.76 58.57 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.152 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 90.94 45.58 4.15 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.412 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 12.9 mtpp -123.5 -39.96 2.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -171.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.21 -40.01 2.69 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.6 m -123.49 167.88 16.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 122.332 -0.511 . . . . 0.0 112.053 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.4 pt -130.61 163.95 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.357 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD22 HD23 ' A' ' 44' ' ' LEU . 3.6 mp -87.95 159.29 18.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -172.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -106.74 176.8 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.046 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.34 -46.53 69.55 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -57.73 -44.12 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.56 -29.7 72.93 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.845 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.4 m-85 -68.87 -33.12 73.27 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.856 -0.202 . . . . 0.0 111.201 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 m -71.94 -33.5 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.398 0.618 . . . . 0.0 110.486 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.46 -17.3 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.792 -174.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.39 -45.44 16.1 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.98 -20.46 61.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 110.541 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.186 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.606 ' O ' HD11 ' B' ' 51' ' ' LEU . 2.7 pp -78.24 -27.13 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.239 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HA ' HD21 ' B' ' 51' ' ' LEU . 39.3 mm-40 -52.28 -59.92 3.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.752 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 18.1 ttmm -79.36 1.96 23.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.375 -166.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.742 ' O ' HD23 ' A' ' 51' ' ' LEU . 78.6 m-70 -115.49 -3.77 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 116.131 -2.228 . . . . 0.0 114.917 169.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 50' ' ' HIS . 20.7 mt -126.69 -37.21 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.073 0.851 . . . . 0.0 111.77 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -105.89 -33.46 7.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.366 0.603 . . . . 0.0 111.208 -172.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.752 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.0 mtmt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.765 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.52 -2.03 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.421 0.629 . . . . 0.0 110.508 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -134.92 137.22 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.273 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.18 171.43 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -60.67 -23.34 64.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 111.107 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.91 -5.8 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -172.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.01 1.07 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 110.842 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.403 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 88.2 mt -126.03 -27.76 3.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.125 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -142.79 148.86 37.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.31 140.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.511 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.56 137.22 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.252 0.548 . . . . 0.0 111.213 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.02 169.72 1.06 Allowed Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -173.702 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.667 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 70.4 Cg_exo -48.13 -36.87 29.69 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.228 2.619 . . . . 0.0 114.243 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.4 -13.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -167.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 18.2 p -117.19 44.06 2.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.831 1.196 . . . . 0.0 113.211 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.66 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.46 28.79 1.61 Allowed 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -177.625 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.03 -18.45 0.35 Allowed 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -174.315 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -132.68 -27.51 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.064 -176.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.476 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 80.65 24.57 58.22 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.34 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.2 pt-20 -137.73 160.34 39.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.369 0.604 . . . . 0.0 110.49 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' B' ' 24' ' ' THR . 46.5 mm -128.21 110.44 21.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 114.635 -1.166 . . . . 0.0 108.227 170.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 61.16 45.28 9.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.522 0.514 . . . . 0.0 111.197 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.7 0.13 23.43 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.891 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.515 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.7 m -120.51 146.21 42.57 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-N 114.913 -0.644 . . . . 0.0 110.752 -167.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' B' ' 24' ' ' THR . 17.9 Cg_endo -54.47 126.38 22.1 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.801 2.334 . . . . 0.0 112.599 -178.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.1 t -74.41 136.34 75.18 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.252 -172.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -29.74 -53.04 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.061 1 C-N-CA 126.593 4.862 . . . . 0.0 116.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.26 -8.59 7.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.75 -167.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.494 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 30.4 p -133.39 98.35 4.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.163 0.506 . . . . 0.0 110.023 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -77.55 58.35 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.092 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.476 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 90.2 48.27 3.6 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.09 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 13.4 mtpp -125.81 -39.98 2.08 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.655 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.1 -40.49 2.53 Favored Glycine 0 N--CA 1.431 -1.661 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.6 m -123.25 168.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.176 0.513 . . . . 0.0 112.109 -174.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 pt -131.46 163.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.273 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.541 HD22 HD23 ' B' ' 44' ' ' LEU . 3.6 mp -87.63 159.54 18.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.73 176.87 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.121 169.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.57 69.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.57 -44.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.568 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -68.16 -29.4 73.32 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.908 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.573 ' HA ' HD23 ' B' ' 44' ' ' LEU . 12.6 m-85 -68.85 -33.6 74.09 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.802 -0.234 . . . . 0.0 111.112 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -71.57 -33.38 69.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.452 0.644 . . . . 0.0 110.578 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.44 -16.87 35.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.803 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -81.74 -44.98 16.31 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.211 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.25 -22.0 61.3 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 110.502 -175.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.414 ' HZ ' ' O ' ' A' ' 40' ' ' GLY . 64.3 t80 -74.08 -43.59 57.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.128 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.592 ' O ' HD11 ' C' ' 51' ' ' LEU . 2.7 pp -78.45 -26.76 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.252 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.508 ' HA ' HD21 ' C' ' 51' ' ' LEU . 40.3 mm-40 -52.66 -59.85 3.97 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 166.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.773 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 17.1 ttmm -79.34 1.72 24.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.349 -166.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.748 ' O ' HD23 ' B' ' 51' ' ' LEU . 77.7 m-70 -115.52 -3.11 12.39 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 115.993 -2.283 . . . . 0.0 115.225 169.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 50' ' ' HIS . 21.6 mt -127.35 -36.57 2.1 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.054 0.843 . . . . 0.0 111.831 168.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.05 -33.51 7.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.164 0.507 . . . . 0.0 111.185 -172.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.773 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.423 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -105.88 -3.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.615 0.721 . . . . 0.0 110.412 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.05 136.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.271 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.28 170.7 9.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.456 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.8 m -59.06 -24.0 62.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.099 0.476 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.65 -6.03 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -172.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.29 -0.31 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.705 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.28 -28.36 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.293 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -142.89 147.72 35.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.237 0.541 . . . . 0.0 110.384 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.91 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.473 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.622 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.18 137.77 57.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.076 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.88 168.54 1.42 Allowed Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -47.37 -38.12 26.22 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.201 2.6 . . . . 0.0 113.723 173.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.89 -10.96 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 17.7 p -114.92 41.13 2.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 118.388 -1.325 . . . . 0.0 114.041 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.08 28.78 1.52 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -176.238 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.434 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -147.7 -19.59 0.37 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -176.098 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -131.81 -27.22 1.91 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.309 -174.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.463 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 79.67 25.8 57.77 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.41 -0.9 . . . . 0.0 114.034 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.8 pt-20 -137.86 161.49 36.48 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.449 0.643 . . . . 0.0 110.645 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.568 ' O ' ' HB ' ' C' ' 24' ' ' THR . 47.9 mm -129.03 110.29 20.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.222 169.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.44 46.85 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.622 0.576 . . . . 0.0 111.411 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.26 1.26 26.71 Favored Glycine 0 CA--C 1.51 -0.241 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.553 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.568 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 2.0 m -121.86 146.82 46.98 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.596 -0.802 . . . . 0.0 111.158 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' C' ' 24' ' ' THR . 19.3 Cg_endo -54.77 130.82 42.52 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.807 2.338 . . . . 0.0 111.77 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.6 t -79.86 138.47 53.79 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.373 -171.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 63.7 Cg_exo -29.74 -53.54 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.193 1 C-N-CA 125.748 4.299 . . . . 0.0 116.114 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.73 -8.08 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.684 -167.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.522 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 19.9 p -132.14 94.77 3.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -77.42 57.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.939 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.463 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 90.21 51.44 2.77 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 14.8 mtpp -127.45 -41.17 1.74 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -173.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.646 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.49 -40.1 2.64 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.7 m -123.97 168.78 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.129 0.49 . . . . 0.0 112.253 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.59 164.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.403 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.545 HD22 HD23 ' C' ' 44' ' ' LEU . 3.6 mp -88.0 160.05 18.04 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.93 176.43 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.115 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.61 -47.15 67.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -57.29 -44.28 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 -29.54 72.62 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.928 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.8 m-85 -68.96 -33.22 73.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.839 -0.212 . . . . 0.0 111.11 177.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 16.6 m -71.99 -33.35 68.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.445 0.64 . . . . 0.0 110.642 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.24 -17.02 35.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.774 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -81.67 -45.33 15.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.199 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.01 -20.58 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.574 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.417 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 64.4 t80 -74.37 -43.66 55.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.126 173.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.608 ' O ' HD11 ' A' ' 51' ' ' LEU . 2.7 pp -78.31 -26.86 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.321 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.513 ' HA ' HD21 ' A' ' 51' ' ' LEU . 40.7 mm-40 -52.71 -59.62 4.25 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 166.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.75 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 17.5 ttmm -79.4 1.63 24.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.492 -166.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.755 ' O ' HD23 ' C' ' 51' ' ' LEU . 79.1 m-70 -115.42 -3.06 12.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 115.995 -2.282 . . . . 0.0 114.911 169.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.755 HD23 ' O ' ' C' ' 50' ' ' HIS . 21.9 mt -127.37 -37.5 2.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.085 0.857 . . . . 0.0 111.814 168.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -106.17 -31.21 8.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.181 0.515 . . . . 0.0 111.462 -171.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.75 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 10.6 mtmt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.998 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.515 ' SD ' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -106.55 9.37 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.684 0.754 . . . . 0.0 110.107 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -143.19 140.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.731 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.07 165.44 14.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -67.15 -13.53 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.502 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.58 -5.55 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.428 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -101.6 4.11 40.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.23 0.538 . . . . 0.0 109.999 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 96.0 mt -125.98 -30.9 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.846 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -149.0 153.04 37.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.686 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.05 148.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.06 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.8 131.69 47.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.941 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.8 t -60.19 161.3 13.48 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.342 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.941 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 67.6 Cg_exo -44.03 -36.41 8.45 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.063 2.509 . . . . 0.0 114.271 172.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -147.19 -36.76 0.22 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -163.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.73 46.55 1.28 Allowed 'General case' 0 C--O 1.249 1.036 0 C-N-CA 117.828 -1.549 . . . . 0.0 114.209 -169.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.72 27.63 1.28 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -147.84 -28.64 0.34 Allowed 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -164.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.45 -37.17 3.55 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.476 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 92.3 19.51 38.54 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.946 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -170.42 171.17 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.1 mt -140.03 124.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 49.75 47.88 22.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.122 0.889 . . . . 0.0 111.23 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.51 6.84 51.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.686 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 151.3 65.12 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.19 129.12 32.6 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 123.17 2.58 . . . . 0.0 111.599 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 39.2 t -86.21 141.49 35.03 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.509 -170.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 72.0 Cg_exo -26.39 -59.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.056 1 C-N-CA 126.47 4.78 . . . . 0.0 116.385 -177.764 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.71 -2.29 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.48 0.657 . . . . 0.0 111.615 -167.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 p -131.08 88.33 2.59 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -76.14 57.66 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.291 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 93.43 41.14 4.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.504 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -117.58 -43.73 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.627 0.727 . . . . 0.0 109.431 -177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.36 -39.4 2.9 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -113.13 164.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 112.09 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.6 pt -123.66 158.14 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.901 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' NE2' ' B' ' 50' ' ' HIS . 1.5 mt -86.57 150.6 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.95 172.73 6.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.469 -1.241 . . . . 0.0 108.196 168.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -52.98 -43.65 66.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -174.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.98 -44.49 91.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.28 -29.72 73.3 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.599 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.9 m-85 -68.85 -36.21 77.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.419 0.152 . . . . 0.0 111.129 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 m -69.98 -34.03 72.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.274 0.559 . . . . 0.0 111.251 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.6 mp -86.02 -15.96 39.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.984 -175.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -83.91 -39.48 19.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.255 -179.48 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.33 -27.28 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.792 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 74.8 t80 -75.49 -37.58 60.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.672 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.66 HG22 HG21 ' C' ' 47' ' ' ILE . 25.7 pt -78.27 -35.34 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.524 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 18.7 mm-40 -50.72 -60.75 2.73 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.337 0.589 . . . . 0.0 109.567 171.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 25.5 ttpt -77.14 1.34 18.55 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.048 -166.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.733 ' O ' HD23 ' A' ' 51' ' ' LEU . 72.1 m-70 -115.11 -9.0 12.38 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 117.372 -1.731 . . . . 0.0 114.803 166.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 50' ' ' HIS . 33.9 mt -132.95 -24.05 1.94 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.706 1.139 . . . . 0.0 113.096 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -126.7 -22.09 3.96 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.046 0.45 . . . . 0.0 111.923 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' FME . . . . . 0.497 ' SD ' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -105.42 9.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.74 0.781 . . . . 0.0 110.18 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.89 139.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.592 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.86 166.13 13.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -67.11 -12.88 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.508 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 -6.46 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.28 3.56 40.89 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.088 0.47 . . . . 0.0 110.337 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.459 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.1 mt -125.13 -31.16 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.732 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -149.15 153.39 37.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.702 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.69 147.57 28.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.238 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.84 134.91 55.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 111.075 -177.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.682 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -64.06 163.06 25.87 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 113.621 -170.365 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.682 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 68.0 Cg_exo -47.09 -36.08 20.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.354 2.702 . . . . 0.0 114.268 174.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -149.52 -30.87 0.23 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -164.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.419 ' HB3' ' CG1' ' B' ' 21' ' ' ILE . 26.1 p -116.53 43.36 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -169.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.11 27.18 1.68 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -176.34 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -148.43 -28.07 0.31 Allowed 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -162.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.23 -36.65 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.127 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.498 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 91.34 21.47 34.92 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.695 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.48 172.25 6.1 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 123.06 0.544 . . . . 0.0 109.556 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ILE . . . . . 0.419 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 14.7 mt -141.9 123.71 13.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 48.79 51.27 16.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.623 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.66 13.93 59.62 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.749 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.32 148.06 68.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.785 -172.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.84 129.11 32.83 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.303 2.669 . . . . 0.0 111.753 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.432 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 41.4 t -85.7 140.4 35.64 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.863 -169.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.432 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 88.8 Cg_exo -26.57 -58.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 1 C-N-CA 126.428 4.752 . . . . 0.0 116.91 -177.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.35 -2.32 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.388 0.613 . . . . 0.0 111.312 -167.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 28.4 p -130.76 89.74 2.8 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -78.59 57.98 2.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.092 0.472 . . . . 0.0 111.699 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 92.63 41.57 4.71 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.396 176.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -117.01 -43.84 2.84 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.86 -39.61 2.84 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -175.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' B' ' 11' ' ' ALA . 27.0 m -112.73 165.3 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 112.123 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.584 HG23 ' SG ' ' B' ' 12' ' ' CYS . 12.3 pt -123.66 158.07 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.459 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.509 HD21 ' NE2' ' C' ' 50' ' ' HIS . 1.6 mt -86.36 149.53 24.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.152 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -107.22 171.76 7.2 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.421 169.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.515 ' HB1' ' SD ' ' A' ' 1' ' ' FME . . . -51.93 -43.44 63.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.28 -45.86 87.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.02 -27.19 73.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.797 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.522 ' HA ' HD23 ' B' ' 44' ' ' LEU . 14.1 m-85 -68.64 -33.88 74.77 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.778 -0.248 . . . . 0.0 110.657 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.302 0.572 . . . . 0.0 110.689 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.52 ' O ' HG23 ' B' ' 47' ' ' ILE . 5.6 mp -85.67 -19.12 31.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.283 -175.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 41' ' ' TYR . 1.3 pp -81.62 -38.53 25.85 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.738 -0.601 . . . . 0.0 110.646 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.31 -28.25 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 77.7 t80 -75.17 -37.0 61.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.723 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.66 HG21 HG22 ' C' ' 47' ' ' ILE . 25.1 pt -78.56 -36.26 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.674 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 21.1 mm-40 -49.7 -60.99 2.38 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 121.361 0.601 . . . . 0.0 109.714 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.625 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 24.7 ttpt -77.0 1.17 18.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.17 -166.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.762 ' O ' HD23 ' B' ' 51' ' ' LEU . 62.1 m-70 -115.57 -8.14 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 117.373 -1.731 . . . . 0.0 114.781 167.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.762 HD23 ' O ' ' B' ' 50' ' ' HIS . 34.3 mt -133.9 -21.95 1.87 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.719 1.145 . . . . 0.0 113.07 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.94 -24.61 3.45 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.071 0.462 . . . . 0.0 111.797 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.625 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 3.3 mtmm . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' FME . . . . . 0.445 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -105.89 7.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.743 0.782 . . . . 0.0 110.038 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -141.36 139.63 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 168.91 10.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -69.72 -13.18 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.183 0.516 . . . . 0.0 110.478 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.52 -5.77 58.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.303 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -101.66 5.1 41.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.151 0.5 . . . . 0.0 110.077 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 96.0 mt -127.16 -31.44 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -148.85 154.45 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.623 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.34 146.54 28.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.378 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.74 134.55 54.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.052 0.453 . . . . 0.0 110.948 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.753 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -65.28 163.89 28.28 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.022 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 13' ' ' PRO . . . . . 0.753 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 63.2 Cg_exo -45.15 -38.14 14.0 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.302 2.668 . . . . 0.0 114.313 173.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -146.66 -31.36 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -165.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.43 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 7.2 p -115.87 42.78 2.25 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -167.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.483 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 26.48 1.98 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.608 0.718 . . . . 0.0 109.184 -177.631 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' C' ' 18' ' ' ALA . 13.4 ptp180 -148.14 -23.71 0.35 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -163.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -122.97 -37.93 2.67 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.978 -174.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 19' ' ' GLY . . . . . 0.543 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 89.69 21.45 40.09 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.375 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.23 172.55 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ILE . . . . . 0.43 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 14.5 mt -142.38 124.95 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 48.48 49.85 17.67 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 124.337 1.023 . . . . 0.0 111.028 -173.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.15 13.71 60.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.64 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.01 148.09 68.21 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.73 129.06 32.61 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.199 2.599 . . . . 0.0 111.368 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.7 t -87.12 142.09 33.47 Favored Pre-proline 0 C--N 1.313 -1.005 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.701 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' PRO . . . . . 0.65 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 79.0 Cg_exo -28.02 -59.02 0.1 Allowed 'Trans proline' 0 C--N 1.364 1.361 1 C-N-CA 126.573 4.849 . . . . 0.0 116.675 -176.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.53 -1.79 6.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.558 0.694 . . . . 0.0 111.365 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 30.5 p -130.25 86.98 2.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.247 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -77.09 57.24 1.36 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.033 0.444 . . . . 0.0 111.867 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 93.88 43.12 3.94 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.679 176.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -119.08 -43.97 2.62 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.442 0.639 . . . . 0.0 109.62 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.84 -39.24 2.94 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -113.39 165.12 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.08 0.467 . . . . 0.0 112.067 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.599 HG23 ' SG ' ' C' ' 12' ' ' CYS . 10.7 pt -123.82 158.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.42 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.508 HD21 ' NE2' ' A' ' 50' ' ' HIS . 1.6 mt -86.88 149.56 24.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.153 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.89 171.68 7.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.25 169.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' ALA . . . . . 0.497 ' HB1' ' SD ' ' B' ' 1' ' ' FME . . . -51.78 -43.95 63.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -173.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.62 -47.23 82.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.283 . . . . 0.0 110.983 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -27.8 73.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.85 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.506 ' HA ' HD23 ' C' ' 44' ' ' LEU . 12.9 m-85 -68.91 -34.39 75.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.494 0.188 . . . . 0.0 110.755 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -72.96 -33.13 65.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.401 0.619 . . . . 0.0 110.728 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.8 mp -85.5 -19.79 30.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.295 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' C' ' 41' ' ' TYR . 1.2 pp -80.37 -38.63 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.449 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.6 -28.0 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 111.012 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 74.1 t80 -75.22 -37.85 60.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.703 177.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.66 HG22 HG21 ' B' ' 47' ' ' ILE . 25.9 pt -78.22 -34.53 18.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.79 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.535 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 19.8 mm-40 -51.49 -60.51 3.06 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.51 171.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.62 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 24.7 ttpt -77.45 0.89 20.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.705 -1.134 . . . . 0.0 112.249 -165.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.718 ' O ' HD23 ' C' ' 51' ' ' LEU . 67.9 m-70 -115.04 -8.54 12.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 117.38 -1.728 . . . . 0.0 114.634 167.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.718 HD23 ' O ' ' C' ' 50' ' ' HIS . 33.2 mt -132.05 -27.68 1.81 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.597 1.09 . . . . 0.0 112.921 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -122.67 -22.87 5.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.184 0.516 . . . . 0.0 111.849 -174.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.62 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.315 -0.915 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.522 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 11.9 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.739 0.781 . . . . 0.0 109.797 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -152.56 134.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.559 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.87 162.46 19.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.1 m -58.03 -28.72 64.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.439 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.64 -1.96 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -168.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.06 -21.5 14.44 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.194 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.84 -18.67 11.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.3 . . . . 0.0 111.395 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' B' ' 49' ' ' LYS . 52.2 mt-10 -130.18 133.44 46.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.284 0.564 . . . . 0.0 109.608 176.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.09 139.93 50.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.639 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -65.32 138.24 58.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 35' ' ' ILE . 7.6 m -56.69 167.44 1.02 Allowed Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.87 -36.89 54.26 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.024 2.483 . . . . 0.0 112.7 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -146.99 -30.77 0.34 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -166.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.42 42.21 2.3 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.639 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 31.29 1.04 Allowed 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 18' ' ' ALA . 15.9 ptm180 -146.93 -27.66 0.39 Allowed 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -165.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -134.94 -28.96 1.16 Allowed 'General case' 0 C--N 1.339 0.135 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.277 -172.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.03 24.03 53.6 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.236 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -146.67 159.8 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.786 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mm -124.05 101.86 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 62.74 51.27 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.614 0.571 . . . . 0.0 111.621 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.65 9.06 11.25 Favored Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.622 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.9 145.86 38.83 Favored Pre-proline 0 N--CA 1.437 -1.089 0 CA-C-N 115.633 -0.283 . . . . 0.0 110.583 -174.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 128.62 31.0 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.265 2.643 . . . . 0.0 112.065 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 52.1 t -84.68 136.12 39.72 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.841 -170.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.1 Cg_exo -28.43 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.086 1 C-N-CA 126.456 4.771 . . . . 0.0 116.83 -176.406 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.93 0.49 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -163.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 26.1 p -123.8 -13.97 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.172 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m 40.57 38.89 0.65 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.14 43.5 4.06 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 119.933 -1.127 . . . . 0.0 113.406 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 48.6 mtmt -126.13 -36.64 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.379 . . . . 0.0 110.163 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 113.95 -38.81 3.03 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.459 -0.657 . . . . 0.0 111.459 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 11' ' ' ALA . 34.2 m -119.26 167.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 0.0 112.013 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' A' ' 12' ' ' CYS . 21.8 pt -130.48 167.75 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.733 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 1.7 mp -87.51 163.95 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.416 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 63.2 p -105.92 177.08 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.111 170.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -57.02 -44.68 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.595 0.634 . . . . 0.0 111.844 -177.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -58.95 -43.3 91.26 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.765 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.52 76.56 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.893 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.649 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.1 m-85 -70.72 -33.22 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.903 -0.175 . . . . 0.0 111.455 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -69.24 -33.4 73.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.494 0.664 . . . . 0.0 110.225 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -85.78 -16.15 39.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.439 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.77 -41.69 20.82 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.183 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.91 -23.13 62.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 110.584 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.536 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 60.5 t80 -75.38 -40.92 57.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.241 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.632 HG22 HG21 ' C' ' 47' ' ' ILE . 19.0 pt -80.01 -25.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.562 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 85.8 mm-40 -58.41 -59.43 5.37 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 165.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HG2' ' HD2' ' C' ' 32' ' ' LYS . 28.0 ttmt -78.57 -4.37 48.45 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.311 -164.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -117.67 -1.05 11.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 117.741 -1.584 . . . . 0.0 114.09 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -118.84 -51.23 2.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.414 0.626 . . . . 0.0 111.03 170.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -107.96 -28.52 9.54 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.51 -166.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 19.9 mtmt . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.075 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' FME . . . . . 0.483 ' HB3' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.48 12.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.665 0.745 . . . . 0.0 109.644 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -152.92 134.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.693 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.01 163.3 18.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.773 0.32 . . . . 0.0 111.198 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -58.53 -29.54 66.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.48 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.31 0.17 42.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -168.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.75 -22.81 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.148 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.17 -18.42 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.468 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' C' ' 49' ' ' LYS . 54.0 mt-10 -130.15 133.23 46.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.408 0.623 . . . . 0.0 109.68 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.55 139.35 51.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.851 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.619 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.61 137.64 57.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' B' ' 35' ' ' ILE . 15.0 m -55.6 167.85 0.71 Allowed Pre-proline 0 N--CA 1.464 0.233 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -172.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -52.78 -32.45 55.89 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.312 2.675 . . . . 0.0 113.037 171.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -150.82 -30.18 0.19 Allowed 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 24.1 p -114.86 41.97 2.27 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.619 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.18 31.57 0.99 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -148.17 -28.98 0.32 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -165.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.06 -29.98 1.24 Allowed 'General case' 0 C--N 1.341 0.232 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.73 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 21.56 53.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.063 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.8 pt-20 -145.81 161.12 40.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.916 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -124.98 101.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.63 51.14 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.697 0.623 . . . . 0.0 111.668 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 8.9 10.77 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.729 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.81 146.08 39.24 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.746 -0.227 . . . . 0.0 110.408 -174.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.81 128.35 29.93 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.223 2.615 . . . . 0.0 112.14 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 49.1 t -84.1 134.49 43.48 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.548 -170.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.2 Cg_exo -27.66 -57.27 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.838 1 C-N-CA 126.383 4.722 . . . . 0.0 117.009 -175.597 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.04 0.14 5.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 -163.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' CYS . . . . . 0.423 ' O ' ' HE2' ' B' ' 32' ' ' LYS . 25.6 p -124.07 -12.96 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.138 -1.025 . . . . 0.0 112.414 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 40.36 39.06 0.63 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.93 45.55 3.58 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.427 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.535 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 45.6 mtmt -128.16 -36.32 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.819 0.342 . . . . 0.0 110.271 179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.63 -38.71 3.09 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -119.75 166.33 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.473 . . . . 0.0 112.131 -175.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.461 HG23 ' SG ' ' B' ' 12' ' ' CYS . 25.7 pt -129.71 168.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.728 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 1.9 mp -87.25 165.04 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.604 0.716 . . . . 0.0 112.869 -174.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.413 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.4 p -106.22 177.15 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.07 170.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 1' ' ' FME . . . -57.18 -44.78 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.485 0.584 . . . . 0.0 111.675 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -58.8 -42.83 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.658 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -30.65 75.99 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.844 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' TYR . . . . . 0.635 ' HA ' HD23 ' B' ' 44' ' ' LEU . 9.4 m-85 -70.76 -33.09 70.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.877 -0.19 . . . . 0.0 111.426 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.7 m -69.12 -33.38 73.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.673 . . . . 0.0 110.262 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.84 -16.2 39.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.635 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.85 -41.79 20.52 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.298 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -71.11 -22.55 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.62 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 61.3 t80 -75.44 -41.61 55.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.314 174.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.615 HG22 HG21 ' A' ' 47' ' ' ILE . 18.5 pt -79.97 -26.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.489 -177.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.4 mm-40 -58.04 -59.4 5.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.297 0.57 . . . . 0.0 109.482 165.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' HG2' ' HD2' ' A' ' 32' ' ' LYS . 27.4 ttmt -78.08 -4.53 47.8 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.235 -164.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -117.45 -1.04 11.79 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 117.855 -1.538 . . . . 0.0 114.476 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.444 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -120.07 -47.4 2.38 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.36 0.6 . . . . 0.0 111.41 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -111.01 -30.11 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.305 -167.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.722 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' FME . . . . . 0.493 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -106.38 12.45 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.812 0.815 . . . . 0.0 109.815 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -153.05 134.46 5.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 161.93 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.4 m -57.22 -29.25 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.637 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -81.99 -0.78 45.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -169.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -101.71 -22.58 14.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.02 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.03 -18.85 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.665 0.269 . . . . 0.0 111.529 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLU . . . . . 0.493 ' OE2' ' HD2' ' A' ' 49' ' ' LYS . 52.9 mt-10 -130.55 132.42 45.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.381 0.61 . . . . 0.0 109.784 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.68 140.38 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.661 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.24 137.5 57.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.599 -178.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 12' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' C' ' 35' ' ' ILE . 1.5 m -55.36 167.58 0.7 Allowed Pre-proline 0 C--N 1.332 -0.169 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.71 -32.87 57.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.938 2.425 . . . . 0.0 112.925 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -150.49 -30.22 0.2 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -167.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 29.1 p -116.07 44.03 2.02 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLU . . . . . 0.661 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 31.46 1.03 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -147.72 -28.59 0.34 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -164.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.04 -28.9 1.32 Allowed 'General case' 0 C--N 1.342 0.248 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.519 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.22 22.95 53.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.128 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 5.4 pt-20 -146.75 160.2 42.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.064 0.459 . . . . 0.0 110.839 -175.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -124.36 101.91 9.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 63.21 50.98 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.632 0.582 . . . . 0.0 111.439 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.37 9.17 10.96 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 119.951 -1.119 . . . . 0.0 112.877 -176.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.87 147.31 42.1 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-O 120.562 0.22 . . . . 0.0 110.822 -174.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -55.83 128.09 28.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.149 2.566 . . . . 0.0 111.927 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -83.27 136.12 43.62 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -28.63 -58.56 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 126.238 4.626 . . . . 0.0 116.628 -177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 1.05 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -164.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 31.4 p -123.65 -12.65 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.425 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m 38.47 38.82 0.26 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.73 42.69 4.39 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 119.967 -1.111 . . . . 0.0 113.383 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.506 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 48.1 mtmt -125.52 -35.36 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.302 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.97 -39.23 2.92 Favored Glycine 0 N--CA 1.435 -1.406 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.64 166.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.971 -175.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.4 HG23 ' SG ' ' C' ' 12' ' ' CYS . 24.9 pt -129.8 168.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.61 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.536 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 1.8 mp -87.26 164.79 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.784 0.802 . . . . 0.0 112.818 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.5 p -106.22 175.94 5.33 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.105 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' B' ' 1' ' ' FME . . . -55.71 -45.15 77.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.437 0.562 . . . . 0.0 111.941 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -58.93 -42.54 90.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.739 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.77 -31.09 77.34 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.807 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' TYR . . . . . 0.657 ' HA ' HD23 ' C' ' 44' ' ' LEU . 9.7 m-85 -70.39 -32.61 70.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.959 -0.142 . . . . 0.0 111.276 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 45.0 m -69.85 -33.76 72.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.421 0.629 . . . . 0.0 110.349 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.46 -17.4 36.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.217 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -80.27 -42.3 23.39 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.799 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.08 -23.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.0 110.739 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' PHE . . . . . 0.515 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 62.5 t80 -75.39 -41.6 55.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.226 174.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 47' ' ' ILE . 19.6 pt -79.9 -25.71 12.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.433 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 48' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.2 mm-40 -58.66 -58.81 6.94 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 165.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.535 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 28.9 ttmt -78.42 -4.57 48.95 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.193 -164.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 50' ' ' HIS . . . . . 0.409 ' NE2' ' OE2' ' B' ' 9' ' ' GLU . 95.2 m-70 -117.58 -0.78 11.79 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 118.05 -1.46 . . . . 0.0 114.297 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.436 HD21 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -120.21 -47.21 2.38 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.453 0.644 . . . . 0.0 111.467 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -111.7 -29.26 7.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.405 -166.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' C' ' 49' ' ' LYS . 17.9 mtmt . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.623 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 121.355 0.598 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -113.77 131.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.96 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.93 150.0 43.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.055 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.17 -15.15 55.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.515 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -6.95 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.76 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.26 -10.41 17.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.159 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD2' HD22 ' A' ' 43' ' ' LEU . 6.2 mp -119.39 -23.05 6.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.84 0.352 . . . . 0.0 111.02 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -130.05 130.34 44.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.42 139.77 50.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.669 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.65 131.97 49.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.065 0.46 . . . . 0.0 110.838 -176.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.85 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.62 165.91 5.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 124.132 0.973 . . . . 0.0 112.676 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.85 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 62.2 Cg_exo -46.45 -34.7 15.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.201 2.601 . . . . 0.0 114.291 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.54 -31.88 0.25 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -165.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.3 p -116.74 45.66 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.669 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.94 28.64 1.52 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -147.77 -21.32 0.36 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -165.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.17 -31.81 0.81 Allowed 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.904 -174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.95 26.46 37.42 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.652 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.575 ' O ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -135.06 -156.64 0.74 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 122.571 0.348 . . . . 0.0 110.131 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.647 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.0 mm -174.93 95.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 59.88 48.02 9.41 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.53 0.519 . . . . 0.0 110.517 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.63 1.57 17.32 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.458 -0.877 . . . . 0.0 113.012 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -119.26 146.19 40.2 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-N 114.66 -0.77 . . . . 0.0 111.042 -168.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 24' ' ' THR . 19.1 Cg_endo -54.14 120.5 8.06 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.488 2.792 . . . . 0.0 112.821 -176.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 45.0 t -69.94 136.19 87.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' HG13 ' A' ' 21' ' ' ILE . 57.2 Cg_exo -34.76 -58.62 0.37 Allowed 'Trans proline' 0 C--N 1.355 0.909 1 C-N-CA 125.746 4.297 . . . . 0.0 116.135 -178.039 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.57 -7.47 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -163.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 19.9 p -130.16 92.97 3.38 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 p -68.12 51.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.44 46.49 3.23 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.441 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HG2' ' HG2' ' B' ' 49' ' ' LYS . 2.1 mppt? -121.34 -35.87 3.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 109.774 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.73 -38.93 3.08 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 11' ' ' ALA . 30.7 m -112.06 161.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.966 0.412 . . . . 0.0 111.238 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.1 pt -124.33 161.89 26.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.848 174.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.475 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -89.91 164.36 14.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.646 0.736 . . . . 0.0 112.635 -172.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.06 -178.28 3.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.451 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.43 98.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.631 0.65 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -60.72 -44.04 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.642 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -32.05 78.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.67 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.574 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.2 m-85 -70.51 -31.83 69.08 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.067 0.147 . . . . 0.0 111.222 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -70.3 -30.34 67.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.288 0.566 . . . . 0.0 109.937 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.2 mp -86.52 -24.91 25.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.486 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -78.87 -41.81 28.96 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.7 -22.78 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.384 0.611 . . . . 0.0 110.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 51.3 t80 -74.79 -40.34 61.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.57 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.723 HG22 HG21 ' C' ' 47' ' ' ILE . 24.0 pt -78.11 -34.3 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.085 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' HB2' ' A' ' 53' ' ' LYS . 44.2 mm-40 -50.38 -64.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.719 170.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -77.23 -0.33 24.83 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.012 -162.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.687 ' O ' HD23 ' A' ' 51' ' ' LEU . 28.0 m80 -115.73 -5.27 12.12 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.67 -1.612 . . . . 0.0 113.517 168.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -127.89 -47.96 1.37 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.545 0.611 . . . . 0.0 111.998 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.88 -23.55 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.944 0.402 . . . . 0.0 112.003 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.613 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 7.5 mtmt . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.033 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.345 0.593 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -111.78 131.58 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.911 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.91 151.82 41.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.068 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -65.68 -14.15 60.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.26 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.54 -8.04 59.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.36 -11.8 17.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.309 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.439 ' CD2' HD22 ' B' ' 43' ' ' LEU . 6.2 mp -118.26 -22.54 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.87 130.47 43.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.14 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.69 140.08 49.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.668 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.79 132.46 50.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.121 0.486 . . . . 0.0 110.824 -177.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.861 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.45 166.08 6.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.764 -169.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.861 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 60.6 Cg_exo -46.63 -35.41 16.99 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.002 2.468 . . . . 0.0 114.165 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -148.69 -29.71 0.28 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -166.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.749 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 8.2 p -115.76 43.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -167.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.668 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 28.74 1.42 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -148.81 -24.0 0.31 Allowed 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -165.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 -31.08 0.9 Allowed 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.621 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.36 25.37 39.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.425 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -142.04 163.87 31.7 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.424 0.63 . . . . 0.0 111.116 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.621 ' O ' ' HB ' ' B' ' 24' ' ' THR . 34.9 mm -125.23 103.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 169.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.37 49.39 4.2 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.704 0.627 . . . . 0.0 110.779 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 3.49 22.45 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.842 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -120.61 143.86 37.28 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-N 114.476 -0.862 . . . . 0.0 111.245 -167.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -53.38 124.78 16.54 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.191 2.594 . . . . 0.0 112.322 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.458 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 42.0 t -77.59 138.37 62.91 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.317 -0.856 . . . . 0.0 113.032 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 64.3 Cg_exo -34.7 -59.4 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.972 1 C-N-CA 125.573 4.182 . . . . 0.0 116.056 -177.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.19 -7.37 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.833 -163.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.4 p -130.21 94.01 3.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.4 53.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.63 41.67 4.38 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.617 172.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.501 ' HG2' ' HG2' ' C' ' 49' ' ' LYS . 2.3 mppt? -117.18 -35.64 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.514 . . . . 0.0 109.719 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 110.29 -38.93 3.08 Favored Glycine 0 N--CA 1.438 -1.209 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.7 m -111.15 161.43 9.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -124.48 161.63 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.744 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.491 HD22 HD23 ' B' ' 44' ' ' LEU . 4.2 mp -88.98 164.37 15.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.513 0.673 . . . . 0.0 112.703 -172.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -105.19 -178.5 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.434 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.51 98.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.724 0.693 . . . . 0.0 110.536 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.41 -43.94 96.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.701 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.426 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -67.14 -31.8 78.6 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.703 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.553 ' HA ' HD23 ' B' ' 44' ' ' LEU . 3.3 m-85 -70.43 -32.01 69.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.14 . . . . 0.0 111.211 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -69.96 -30.6 68.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.3 0.572 . . . . 0.0 109.988 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.4 mp -86.58 -24.34 25.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.479 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -79.02 -41.9 27.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.623 -176.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.87 -22.63 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.311 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.44 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 51.5 t80 -74.66 -40.41 61.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.702 HG21 HG22 ' C' ' 47' ' ' ILE . 25.0 pt -78.21 -34.35 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.001 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.413 ' C ' ' HB2' ' B' ' 53' ' ' LYS . 47.7 mm-40 -50.38 -63.73 1.03 Allowed 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.351 0.596 . . . . 0.0 109.423 170.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.558 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 0.5 OUTLIER -76.98 -2.03 31.75 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.138 -162.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.662 ' O ' HD23 ' B' ' 51' ' ' LEU . 28.8 m80 -115.47 -4.86 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 117.432 -1.707 . . . . 0.0 113.451 169.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.662 HD23 ' O ' ' B' ' 50' ' ' HIS . 13.7 mt -128.35 -47.61 1.31 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.343 0.519 . . . . 0.0 112.034 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.76 -21.67 12.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.558 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.8 mtmt . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.447 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 121.25 0.548 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.5 131.58 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.959 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.99 150.49 42.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.044 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -63.19 -15.77 58.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.624 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.52 -7.36 59.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.657 -174.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.06 -10.67 17.87 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.272 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.44 ' CD2' HD22 ' C' ' 43' ' ' LEU . 6.2 mp -119.18 -23.11 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.08 130.51 44.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.67 140.15 49.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.643 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.06 132.82 51.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.162 0.506 . . . . 0.0 110.495 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.629 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.24 168.28 4.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.284 -0.871 . . . . 0.0 113.245 -169.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.629 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 72.7 Cg_exo -47.3 -37.29 24.32 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.097 2.532 . . . . 0.0 113.701 175.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -147.53 -29.94 0.33 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -166.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.722 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 6.2 p -114.06 41.96 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -166.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.643 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.02 27.89 1.51 Allowed 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.421 ' H ' ' H ' ' C' ' 18' ' ' ALA . 17.1 ptp180 -148.08 -22.77 0.35 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -165.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -137.83 -30.37 0.82 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.582 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.04 26.75 39.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.442 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.722 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.0 OUTLIER -143.46 163.45 33.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.659 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.4 mm -125.43 101.98 9.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 63.21 50.95 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.788 0.68 . . . . 0.0 110.553 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.71 6.28 22.49 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.935 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.4 m -122.93 143.24 40.03 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 114.529 -0.836 . . . . 0.0 111.521 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.47 126.09 20.63 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.427 2.751 . . . . 0.0 112.288 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 51.3 t -80.1 138.64 52.85 Favored Pre-proline 0 N--CA 1.448 -0.53 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.516 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 55.4 Cg_exo -34.09 -59.37 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 1 C-N-CA 125.892 4.394 . . . . 0.0 115.961 -177.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.78 -7.06 7.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.574 -165.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.549 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 21.3 p -128.92 92.05 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.58 53.75 0.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.75 43.52 4.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.379 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -118.75 -35.66 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 109.859 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 110.9 -38.6 3.23 Favored Glycine 0 N--CA 1.438 -1.206 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' C' ' 11' ' ' ALA . 30.8 m -112.22 162.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.512 HG23 ' SG ' ' C' ' 12' ' ' CYS . 13.2 pt -124.67 162.14 27.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.91 174.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.468 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -89.27 164.11 15.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.439 0.638 . . . . 0.0 112.503 -173.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.0 p -105.14 -178.82 3.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.413 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.77 96.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.733 0.697 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.09 -45.02 94.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.95 -31.78 80.59 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.668 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.565 ' HA ' HD23 ' C' ' 44' ' ' LEU . 3.2 m-85 -70.57 -32.31 69.66 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.079 0.151 . . . . 0.0 111.173 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -70.01 -30.49 67.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.224 0.535 . . . . 0.0 110.116 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.594 ' O ' HG23 ' C' ' 47' ' ' ILE . 7.4 mp -86.32 -24.69 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.45 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -78.51 -42.16 30.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -71.61 -23.11 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.426 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 50.3 t80 -74.45 -40.79 61.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.632 174.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.723 HG21 HG22 ' A' ' 47' ' ' ILE . 24.4 pt -77.82 -33.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.988 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -51.18 -63.48 1.12 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.556 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 0.7 OUTLIER -77.14 -2.18 33.01 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.878 -1.056 . . . . 0.0 112.96 -162.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.695 ' O ' HD23 ' C' ' 51' ' ' LEU . 29.7 m80 -115.43 -4.86 12.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 117.391 -1.724 . . . . 0.0 113.464 169.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.695 HD23 ' O ' ' C' ' 50' ' ' HIS . 13.3 mt -128.7 -47.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.269 0.486 . . . . 0.0 112.183 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -21.89 12.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.556 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.6 mtmt . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.502 176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.482 0.658 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -112.67 136.94 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.17 146.59 49.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.543 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.36 -16.36 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.525 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.2 -4.17 56.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.75 -16.08 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.778 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.33 -16.08 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 110.728 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.568 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 44.9 mt-10 -138.36 135.4 35.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.321 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 144.23 37.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.622 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.84 130.47 44.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.107 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.871 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 40.5 t -60.0 155.28 44.67 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.876 -168.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.871 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 57.4 Cg_exo -42.12 -25.5 0.41 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.168 3.245 . . . . 0.0 115.505 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' HG23 ' A' ' 21' ' ' ILE . 59.0 tttp -153.97 -34.71 0.1 Allowed 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -168.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -117.62 45.27 1.97 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -166.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.622 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.45 29.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.917 0.865 . . . . 0.0 108.798 -175.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -148.85 -29.6 0.27 Allowed 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -162.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.57 -38.79 2.49 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.607 -172.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.42 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.28 17.19 37.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 119.972 -1.109 . . . . 0.0 112.877 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.84 166.43 32.72 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 24' ' ' THR . 36.2 mt -141.44 126.37 17.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 54.28 42.32 31.54 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.708 0.63 . . . . 0.0 110.741 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -2.56 21.25 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.845 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.633 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 1.1 t -120.32 160.3 44.18 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 117.678 0.739 . . . . 0.0 111.699 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 14.4 Cg_endo -54.11 136.88 69.04 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.871 2.381 . . . . 0.0 112.035 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.527 ' HG ' ' HG ' ' A' ' 29' ' ' CYS . 12.0 t -87.55 140.14 31.74 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.6 -170.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -26.5 -52.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 1 C-N-CA 126.068 4.512 . . . . 0.0 116.34 -177.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.31 -1.27 4.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -168.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.527 ' HG ' ' HG ' ' A' ' 26' ' ' CYS . 25.3 p -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.053 0.454 . . . . 0.0 110.251 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -85.78 58.43 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 89.69 48.68 3.6 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.185 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 14.2 mtpp -122.61 -40.37 2.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -172.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.27 -40.39 2.55 Favored Glycine 0 N--CA 1.434 -1.491 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.0 167.75 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 0.0 112.136 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.58 163.85 35.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.922 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD22 HD23 ' A' ' 44' ' ' LEU . 4.9 mp -88.04 163.9 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -172.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 59.7 p -106.21 174.96 5.66 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.431 -1.259 . . . . 0.0 108.172 172.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.04 82.02 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.884 0.765 . . . . 0.0 111.093 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -52.25 -52.49 52.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.86 -30.81 78.97 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 113.34 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.8 m-85 -69.29 -33.31 73.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.078 0.439 . . . . 0.0 111.146 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -69.43 -30.68 68.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.722 0.772 . . . . 0.0 109.915 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.23 -12.74 45.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.509 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -84.97 -44.04 13.46 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.026 -0.669 . . . . 0.0 110.067 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.23 -23.31 61.98 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.177 0.513 . . . . 0.0 110.099 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.6 -43.22 60.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.055 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.682 HG21 HG22 ' B' ' 47' ' ' ILE . 21.4 pt -79.36 -28.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.918 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.537 ' HA ' HD11 ' B' ' 51' ' ' LEU . 20.3 mm-40 -58.12 -52.36 65.87 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.671 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 19.7 ttpt -79.32 -3.41 45.99 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.968 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.432 ' HB2' HD11 ' C' ' 47' ' ' ILE . 26.3 m80 -117.57 -0.76 11.8 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 116.938 -1.905 . . . . 0.0 113.823 168.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.7 mm? -116.15 -29.51 6.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.148 0.499 . . . . 0.0 111.17 173.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.462 HD22 HD12 ' B' ' 51' ' ' LEU . 2.2 m-80 -136.74 -30.68 0.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.312 -164.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.671 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 16.3 mtmt . . . . . 0 C--O 1.247 0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.423 0.63 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -115.91 136.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 146.38 49.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.302 171.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -61.58 -16.06 44.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.613 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.13 -4.64 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.426 -175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -103.11 -15.66 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.031 0.443 . . . . 0.0 110.741 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.1 -15.88 12.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.097 0.475 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.534 ' OE1' ' HE3' ' C' ' 49' ' ' LYS . 45.0 mt-10 -138.35 137.83 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.274 175.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.77 145.25 35.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.604 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.47 131.19 46.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.268 0.556 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.899 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 14.3 t -58.61 155.86 26.97 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.064 -169.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.899 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 57.6 Cg_exo -42.56 -26.49 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.278 3.319 . . . . 0.0 115.014 177.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HD3' HG23 ' B' ' 21' ' ' ILE . 55.8 tttp -153.75 -33.56 0.11 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -169.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.81 46.46 1.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -167.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.604 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.3 28.92 1.33 Allowed 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -176.303 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -148.92 -29.26 0.27 Allowed 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -163.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.84 2.75 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.563 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.99 18.81 38.62 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.406 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -158.19 166.12 33.21 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.609 ' O ' HG22 ' B' ' 24' ' ' THR . 30.9 mt -142.18 126.45 16.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 54.45 42.05 31.6 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 123.896 0.747 . . . . 0.0 110.619 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.84 -1.84 28.55 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.954 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.609 HG22 ' O ' ' B' ' 21' ' ' ILE . 2.8 t -121.08 158.16 53.42 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 117.374 0.587 . . . . 0.0 111.556 -172.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.599 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 13.5 Cg_endo -53.95 133.59 55.57 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.844 2.363 . . . . 0.0 111.681 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.419 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 32.3 t -85.22 141.84 37.6 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.54 -170.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.419 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 62.5 Cg_exo -26.69 -51.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 126.206 4.604 . . . . 0.0 116.683 -177.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -1.62 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -169.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 19.9 p -136.7 100.64 4.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -82.08 58.28 3.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.211 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 89.67 47.86 3.85 Favored Glycine 0 CA--C 1.505 -0.534 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.172 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 14.6 mtpp -121.54 -40.75 2.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -171.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.83 -39.88 2.71 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.49 168.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.207 0.527 . . . . 0.0 112.098 -176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 pt -130.81 163.94 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.801 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.434 HD22 HD23 ' B' ' 44' ' ' LEU . 4.8 mp -87.94 163.96 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -172.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.432 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 44.8 p -106.18 174.9 5.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.178 172.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.98 76.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.826 0.739 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -51.89 -52.98 45.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.536 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.24 -30.96 79.29 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.235 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.602 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.1 m-85 -69.4 -33.2 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.128 0.464 . . . . 0.0 111.188 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -69.18 -31.04 69.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.763 0.792 . . . . 0.0 109.983 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.13 -12.79 46.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.528 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -84.91 -44.16 13.42 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.041 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.26 -23.1 61.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.07 0.462 . . . . 0.0 110.117 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.79 -43.59 58.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.073 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.682 HG22 HG21 ' A' ' 47' ' ' ILE . 21.3 pt -79.26 -28.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.844 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.537 ' HA ' HD11 ' C' ' 51' ' ' LEU . 21.2 mm-40 -58.16 -52.0 67.38 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.691 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 21.0 ttpt -79.63 -3.33 46.66 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.971 -167.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' A' ' 47' ' ' ILE . 26.2 m80 -117.5 -0.75 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 116.928 -1.909 . . . . 0.0 113.847 168.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.8 mm? -116.11 -29.43 6.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.287 0.565 . . . . 0.0 111.032 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . 0.479 ' ND2' HD12 ' C' ' 51' ' ' LEU . 2.2 m-80 -136.44 -31.15 0.89 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.07 -164.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.691 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 16.1 mtmt . . . . . 0 C--O 1.249 1.066 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 121.299 0.571 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -113.31 137.74 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.8 146.65 50.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.655 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.14 -16.39 43.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.582 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.89 -4.7 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.536 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -102.76 -16.43 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.0 110.644 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.401 ' HA ' ' OG1' ' C' ' 37' ' ' THR . 7.3 mp -114.05 -16.05 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 45.2 mt-10 -137.68 138.02 38.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.066 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.8 p -128.85 145.11 36.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.645 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.24 130.7 44.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.85 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.895 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 16.5 t -58.94 154.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.093 -169.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.895 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 49.3 Cg_exo -41.41 -26.58 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.415 3.41 . . . . 0.0 115.32 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . 0.414 ' HD3' HG23 ' C' ' 21' ' ' ILE . 57.4 tttp -153.25 -34.32 0.11 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -168.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.492 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 17.0 p -117.9 45.27 2.0 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -165.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.645 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.99 29.03 1.43 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -175.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -148.74 -27.24 0.3 Allowed 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -163.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.77 -35.36 2.31 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.898 -1.047 . . . . 0.0 112.897 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.453 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 92.69 17.28 45.54 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.569 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.87 164.64 37.84 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.599 ' O ' HG22 ' C' ' 24' ' ' THR . 33.5 mt -141.53 126.03 17.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 54.46 43.63 30.05 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.895 0.747 . . . . 0.0 111.064 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.73 -0.1 22.33 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.938 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 2.9 t -122.74 158.99 55.28 Favored Pre-proline 0 C--O 1.239 0.535 0 CA-C-N 117.507 0.654 . . . . 0.0 111.511 -173.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 12.9 Cg_endo -53.11 136.44 61.49 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.975 2.45 . . . . 0.0 111.622 174.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 t -88.66 141.24 29.98 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.287 -170.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -25.48 -51.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.064 1 C-N-CA 126.271 4.647 . . . . 0.0 116.615 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.39 -1.23 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' C' ' 32' ' ' LYS . 20.0 p -137.02 100.68 4.35 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.532 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -80.47 57.94 3.01 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.142 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.41 48.93 3.84 Favored Glycine 0 CA--C 1.504 -0.645 0 C-N-CA 120.166 -1.016 . . . . 0.0 111.156 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 15.0 mtpp -121.21 -41.35 2.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -172.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.52 -40.12 2.61 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.42 167.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.224 0.535 . . . . 0.0 112.152 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 pt -130.14 164.14 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.787 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.428 HD22 HD23 ' C' ' 44' ' ' LEU . 4.8 mp -88.2 163.81 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . 0.443 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 68.3 p -106.0 175.58 5.45 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.41 -1.268 . . . . 0.0 108.25 172.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.19 84.01 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.018 0.826 . . . . 0.0 111.054 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -51.91 -52.85 47.09 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.481 172.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.49 -31.12 79.82 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.307 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.579 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.1 m-85 -69.35 -33.04 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.109 0.455 . . . . 0.0 111.165 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -69.71 -30.72 68.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.633 0.73 . . . . 0.0 110.068 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.404 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.2 mp -87.06 -13.21 44.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.576 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -84.22 -44.4 13.95 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.976 -179.518 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.21 -23.03 61.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.108 0.48 . . . . 0.0 110.118 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -73.81 -43.46 58.73 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.144 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.661 HG21 HG22 ' A' ' 47' ' ' ILE . 21.4 pt -79.36 -28.91 13.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.528 ' HA ' HD11 ' A' ' 51' ' ' LEU . 21.0 mm-40 -57.81 -52.12 66.76 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 168.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.69 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 19.6 ttpt -79.28 -4.02 48.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.082 -167.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' B' ' 47' ' ' ILE . 26.8 m80 -117.32 -0.36 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 116.932 -1.907 . . . . 0.0 113.778 169.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.7 mm? -116.88 -27.63 6.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.249 0.547 . . . . 0.0 111.249 173.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . 0.488 ' ND2' HD12 ' A' ' 51' ' ' LEU . 2.5 m-80 -139.54 -29.07 0.75 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.394 -163.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.69 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 15.7 mtmt . . . . . 0 C--O 1.248 0.995 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -134.99 135.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.222 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.15 150.94 41.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.002 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 m -67.9 -14.13 62.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.045 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.03 -6.55 58.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -103.79 -12.67 16.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.76 -18.19 11.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.557 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' OE2' ' HE1' ' B' ' 50' ' ' HIS . 23.3 mt-10 -137.1 136.77 38.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.182 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.41 145.21 36.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.747 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.62 131.4 47.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.135 0.493 . . . . 0.0 110.896 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.74 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.25 171.07 1.77 Allowed Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 124.165 0.986 . . . . 0.0 113.33 -171.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.74 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 59.2 Cg_exo -47.96 -41.6 32.61 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.286 2.657 . . . . 0.0 114.442 173.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -146.34 -25.83 0.43 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -165.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 25.7 p -115.27 40.98 2.55 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -168.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.747 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -90.66 35.68 0.89 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.626 -178.667 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 18' ' ' ALA . 4.0 ptp85 -149.37 -23.92 0.29 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.426 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -131.25 -28.92 1.86 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.47 49.78 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.266 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 3.4 pt-20 -148.64 155.72 41.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.509 . . . . 0.0 111.062 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.54 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.6 mm -123.57 103.46 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.87 48.58 3.12 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.042 0.839 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.52 9.83 20.05 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.732 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -122.74 145.81 46.3 Favored Pre-proline 0 C--N 1.305 -1.344 0 CA-C-N 114.376 -0.912 . . . . 0.0 110.681 -170.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.54 135.17 68.84 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 0.0 111.979 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 45.6 t -90.84 137.35 26.87 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 66.9 Cg_exo -31.45 -60.11 0.17 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 126.16 4.573 . . . . 0.0 116.47 -177.168 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.19 -6.6 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.422 0.63 . . . . 0.0 111.377 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 30.0 p -130.6 88.67 2.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.742 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -75.76 55.34 0.86 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.238 0.542 . . . . 0.0 111.457 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.88 46.05 2.53 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.276 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -117.52 -43.86 2.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.466 0.65 . . . . 0.0 109.518 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.63 -38.14 3.2 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -174.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -112.67 163.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.89 0.376 . . . . 0.0 111.802 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.449 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.6 pt -124.12 159.98 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.645 175.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.35 161.99 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.814 0.816 . . . . 0.0 112.999 -171.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -106.03 174.89 5.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.319 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.96 80.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.507 0.594 . . . . 0.0 111.405 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.53 -42.48 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.781 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.74 -30.22 70.71 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.584 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.9 m-85 -69.51 -32.93 72.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.402 0.144 . . . . 0.0 111.163 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.34 0.59 . . . . 0.0 110.448 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 mp -87.58 -16.9 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -82.73 -45.83 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.963 -177.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.47 -21.58 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.047 0.451 . . . . 0.0 110.551 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.38 -40.35 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.653 HG22 HG21 ' C' ' 47' ' ' ILE . 29.9 pt -77.55 -31.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.113 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.0 mm-40 -52.59 -58.16 7.68 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.89 0.78 22.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.256 -164.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.669 ' O ' HD23 ' A' ' 51' ' ' LEU . 12.2 m-70 -114.61 -10.96 12.44 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 117.618 -1.633 . . . . 0.0 114.253 168.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 50' ' ' HIS . 19.0 mt -127.68 -42.22 1.63 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.108 0.867 . . . . 0.0 111.895 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -106.06 -25.31 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.417 . . . . 0.0 111.927 -173.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.624 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.9 mtmm . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.236 -0.887 . . . . 0.0 109.015 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 121.662 0.744 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.445 HG22 ' HG3' ' C' ' 39' ' ' GLN . 16.2 tt -136.43 135.48 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.231 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.88 149.8 42.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.788 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.5 m -66.53 -14.26 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.758 -176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.15 -6.04 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.373 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -103.61 -12.95 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.99 -17.99 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.483 ' OE2' ' HE1' ' C' ' 50' ' ' HIS . 22.8 mt-10 -137.33 136.32 37.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.158 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.53 145.43 35.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.805 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.05 131.41 47.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.061 0.457 . . . . 0.0 111.221 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.815 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.6 OUTLIER -61.6 168.02 3.75 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.118 0.967 . . . . 0.0 113.141 -172.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.815 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 54.3 Cg_exo -46.59 -39.8 23.22 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.5 2.133 . . . . 0.0 114.146 171.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -146.01 -24.52 0.45 Allowed 'General case' 0 C--N 1.347 0.486 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.589 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -116.59 41.38 2.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -168.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.805 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.4 OUTLIER -90.33 34.48 0.87 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.411 0.624 . . . . 0.0 110.685 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -150.25 -25.95 0.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.98 -39.67 2.08 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.84 23.64 25.06 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 119.556 -1.307 . . . . 0.0 113.69 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.589 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.0 pt-20 -152.95 159.16 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.129 0.465 . . . . 0.0 110.888 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.3 mm -124.29 102.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 64.06 49.69 2.66 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 124.163 0.914 . . . . 0.0 111.436 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.74 10.11 23.06 Favored Glycine 0 N--CA 1.467 0.727 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.828 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -124.39 143.73 43.85 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 114.46 -0.87 . . . . 0.0 110.44 -169.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -55.8 134.08 61.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.825 2.35 . . . . 0.0 112.436 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.2 t -89.29 134.6 32.62 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -29.69 -57.99 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 1 C-N-CA 126.617 4.878 . . . . 0.0 116.765 -176.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.16 -8.63 9.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.748 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 21.8 p -130.88 93.49 3.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 58.52 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 46.57 2.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.609 -0.723 . . . . 0.0 113.318 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 44.5 mtmt -119.24 -44.76 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.627 0.727 . . . . 0.0 109.257 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.554 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 117.31 -38.57 2.93 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.85 163.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.935 0.397 . . . . 0.0 111.864 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 pt -124.04 159.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.412 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.516 HD22 HD23 ' B' ' 44' ' ' LEU . 4.3 mp -87.25 161.98 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -105.86 173.45 6.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.539 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.38 70.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 118.33 0.514 . . . . 0.0 111.638 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.11 -44.2 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.655 0.264 . . . . 0.0 110.731 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.4 -28.43 71.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.532 ' HA ' HD23 ' B' ' 44' ' ' LEU . 11.4 m-85 -69.37 -32.24 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.576 0.227 . . . . 0.0 110.966 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -71.14 -31.27 67.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.499 0.666 . . . . 0.0 109.965 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 47' ' ' ILE . 6.2 mp -87.21 -20.01 27.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.433 -176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -80.83 -45.46 16.86 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.596 -0.69 . . . . 0.0 110.304 -177.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.61 -21.39 60.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.421 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -74.09 -40.47 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.673 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.652 HG22 HG21 ' A' ' 47' ' ' ILE . 28.0 pt -77.62 -31.31 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.985 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -52.19 -58.6 6.13 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.639 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 25.7 ttmt -77.55 0.86 21.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.312 -164.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.667 ' O ' HD23 ' B' ' 51' ' ' LEU . 11.5 m-70 -114.56 -9.45 12.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.073 168.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.667 HD23 ' O ' ' B' ' 50' ' ' HIS . 23.7 mt -129.21 -42.81 1.34 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.024 0.829 . . . . 0.0 111.877 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -106.34 -23.41 12.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 0.0 111.899 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.639 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.456 -0.783 . . . . 0.0 109.187 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.804 0.811 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.0 tt -136.86 134.82 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.29 149.24 43.99 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.778 174.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -65.22 -14.53 60.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.236 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.6 -6.31 58.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.31 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -104.08 -11.7 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.38 -17.84 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.786 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . 0.438 ' OE2' ' HE1' ' A' ' 50' ' ' HIS . 23.2 mt-10 -137.57 135.37 36.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.047 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.57 144.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.758 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.2 131.44 47.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.418 0.627 . . . . 0.0 111.127 -176.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.712 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.51 171.44 1.73 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.507 -170.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.712 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 67.6 Cg_exo -49.0 -41.82 39.41 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.888 2.392 . . . . 0.0 114.259 173.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.98 -26.59 0.48 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -165.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 28.6 p -115.31 41.44 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 118.992 -1.083 . . . . 0.0 113.829 -168.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.758 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -89.53 35.3 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.423 ' H ' ' H ' ' C' ' 18' ' ' ALA . 3.6 ptp85 -149.25 -25.57 0.29 Allowed 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.423 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -127.96 -33.29 2.23 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 115.431 -0.804 . . . . 0.0 113.033 -169.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.75 25.59 37.91 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.405 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.2 pt-20 -150.97 156.05 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.153 0.502 . . . . 0.0 111.328 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.609 ' O ' ' HB ' ' C' ' 24' ' ' THR . 33.2 mm -123.12 102.2 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 175.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 64.45 50.22 2.28 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.312 1.007 . . . . 0.0 111.285 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 12.06 25.38 Favored Glycine 0 N--CA 1.465 0.618 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.72 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.609 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -125.54 144.43 47.97 Favored Pre-proline 0 C--N 1.303 -1.444 0 CA-C-N 114.34 -0.93 . . . . 0.0 110.553 -168.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -57.47 132.37 50.2 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.731 2.287 . . . . 0.0 112.463 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 53.3 t -89.26 135.64 31.08 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -170.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 60.1 Cg_exo -30.29 -58.55 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 126.511 4.808 . . . . 0.0 116.846 -176.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.33 -6.88 9.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.403 0.62 . . . . 0.0 111.271 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.8 p -130.87 89.86 2.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.775 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -76.96 56.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 111.213 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.15 46.1 2.68 Favored Glycine 0 N--CA 1.441 -0.969 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.052 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' C' ' 32' ' ' LYS . 42.8 mtmt -117.49 -43.93 2.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.5 0.667 . . . . 0.0 109.274 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 115.8 -38.18 3.17 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.93 164.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 111.728 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.451 HG23 ' SG ' ' C' ' 12' ' ' CYS . 8.7 pt -124.16 160.0 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.621 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -87.48 161.58 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.746 0.784 . . . . 0.0 113.082 -171.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -105.7 174.79 5.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.508 -1.224 . . . . 0.0 108.19 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.63 78.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.411 0.551 . . . . 0.0 111.455 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . 0.445 ' HG3' HG22 ' B' ' 3' ' ' ILE . 53.9 tt0 -59.44 -44.37 92.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.56 -27.97 71.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.845 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.518 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.9 m-85 -69.56 -32.03 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.541 0.21 . . . . 0.0 110.897 175.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.2 m -71.08 -32.12 68.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.453 0.644 . . . . 0.0 110.009 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.49 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.3 mp -87.19 -19.12 28.88 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.502 -175.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.553 HD23 HD22 ' C' ' 36' ' ' LEU . 0.9 OUTLIER -81.19 -45.14 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.377 -178.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.59 -22.35 60.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 0.0 110.489 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.84 -40.0 63.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.554 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.653 HG21 HG22 ' A' ' 47' ' ' ILE . 28.5 pt -77.67 -31.38 17.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.24 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -50.87 -58.95 4.7 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.571 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 28.3 ttmt -77.87 0.7 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.211 -163.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.646 ' O ' HD23 ' C' ' 51' ' ' LEU . 12.1 m-70 -114.75 -9.74 12.5 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 117.45 -1.7 . . . . 0.0 114.167 168.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.646 HD23 ' O ' ' C' ' 50' ' ' HIS . 22.3 mt -127.63 -43.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.004 0.82 . . . . 0.0 111.859 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.58 -24.65 12.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.573 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 8.2 mtmm . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.549 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 121.444 0.64 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.62 136.8 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.308 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.27 163.35 16.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 m -65.98 -13.82 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.333 0.587 . . . . 0.0 110.066 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.77 -5.59 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.51 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.7 -0.42 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.272 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -121.59 -26.54 4.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.653 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -146.77 152.08 38.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.397 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.87 144.56 36.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.187 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 34' ' ' VAL . . . -64.17 134.47 54.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.13 0.491 . . . . 0.0 110.623 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.648 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.2 m -56.32 165.86 1.39 Allowed Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -171.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -51.37 -32.55 42.56 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.975 2.45 . . . . 0.0 113.187 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -152.24 -29.7 0.16 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.3 p -115.66 41.78 2.44 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -167.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -91.81 28.03 1.91 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -177.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -148.68 -24.22 0.32 Allowed 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -164.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.32 -36.13 1.5 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.116 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.15 20.0 44.11 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.95 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.41 162.96 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' HB ' ' A' ' 24' ' ' THR . 26.8 mm -127.8 108.37 17.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 60.74 45.47 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.356 0.41 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.07 4.96 17.51 Favored Glycine 0 CA--C 1.509 -0.322 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.519 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.65 146.45 39.92 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.173 -170.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.49 133.8 58.37 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.126 2.55 . . . . 0.0 111.975 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 46.9 t -85.71 140.06 35.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.4 Cg_exo -31.39 -53.67 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 125.71 4.273 . . . . 0.0 116.115 -178.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -3.27 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -167.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 13.8 p -130.61 105.88 8.12 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 p -82.14 50.84 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.957 -0.464 . . . . 0.0 112.244 -177.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.88 39.9 5.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.15 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -110.93 -39.9 4.67 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.8 -38.85 2.86 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.57 163.67 12.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.648 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.0 pt -124.34 161.24 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.256 173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -87.08 156.53 19.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -173.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.12 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.02 169.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.51 -44.54 85.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.699 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.54 -30.23 73.04 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.79 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.592 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.9 m-85 -69.2 -32.34 71.55 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.828 -0.219 . . . . 0.0 110.854 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 m -70.44 -35.42 73.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.313 0.578 . . . . 0.0 110.856 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.45 -13.3 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.449 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.599 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -82.35 -42.63 18.46 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.744 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.24 -25.12 63.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.975 0.417 . . . . 0.0 110.673 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 63.6 t80 -74.87 -39.39 61.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.765 HG21 HG22 ' B' ' 47' ' ' ILE . 22.8 pt -79.61 -31.63 14.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.564 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 84.6 mm-40 -55.29 -58.14 8.92 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.831 168.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 27.7 ttpt -79.0 1.17 24.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.005 -165.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.504 ' NE2' HD21 ' C' ' 36' ' ' LEU . 62.0 m80 -117.42 -1.31 11.76 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.794 -1.562 . . . . 0.0 114.033 164.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' C' ' 52' ' ' ASN . 3.4 mm? -121.98 -42.89 2.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.744 0.702 . . . . 0.0 111.346 175.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.409 ' OD1' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -124.06 -19.79 5.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -166.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.568 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.453 0.644 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.407 HG22 ' HG3' ' C' ' 39' ' ' GLN . 16.8 tt -122.97 137.38 56.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.263 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.71 164.16 15.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.2 m -65.43 -13.51 58.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.511 . . . . 0.0 110.241 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.7 -6.08 59.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.738 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.9 0.46 38.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.188 0.518 . . . . 0.0 109.978 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.0 mt -123.43 -27.34 4.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -146.83 151.02 36.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.12 146.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.976 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.12 134.46 54.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.541 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -58.41 165.03 3.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.081 -0.963 . . . . 0.0 113.185 -171.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 91.0 Cg_exo -51.36 -30.81 35.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.843 2.362 . . . . 0.0 113.965 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -151.31 -31.0 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -165.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 24.2 p -116.28 43.14 2.24 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -169.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.534 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.18 27.42 1.89 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -147.97 -27.19 0.34 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -164.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.66 -35.3 2.14 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.105 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.78 50.56 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.968 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 6.2 pt-20 -149.9 158.86 44.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.4 mm -125.97 107.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 59.9 43.62 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.322 0.389 . . . . 0.0 111.119 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.07 2.82 20.22 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.427 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -118.28 144.43 35.0 Favored Pre-proline 0 C--N 1.309 -1.188 0 CA-C-N 115.191 -0.505 . . . . 0.0 111.044 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.21 127.97 28.0 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.596 2.864 . . . . 0.0 112.622 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.2 t -79.28 138.0 56.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -171.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -30.36 -54.1 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.049 1 C-N-CA 125.926 4.418 . . . . 0.0 116.06 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.56 -3.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -167.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 14.9 p -132.76 103.99 6.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -82.02 51.67 1.81 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.5 43.16 4.34 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.884 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -114.3 -40.34 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.26 -39.75 2.56 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -177.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' B' ' 11' ' ' ALA . 34.3 m -114.2 163.0 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 pt -124.54 161.04 28.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.179 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.548 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -87.38 156.49 19.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.188 0.811 . . . . 0.0 113.188 -172.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -107.15 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.122 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.05 -45.69 68.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.96 -45.72 86.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.969 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 -30.05 75.03 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.062 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.558 ' HA ' HD23 ' B' ' 44' ' ' LEU . 10.5 m-85 -69.51 -32.76 71.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.726 -0.279 . . . . 0.0 110.959 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.61 -35.2 75.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.331 0.586 . . . . 0.0 110.74 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.45 -14.07 44.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.691 -174.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.593 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -82.63 -41.88 18.89 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.054 -0.658 . . . . 0.0 109.822 179.181 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.26 -25.17 63.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.635 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 63.5 t80 -74.85 -39.75 61.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.248 176.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.765 HG22 HG21 ' A' ' 47' ' ' ILE . 23.2 pt -79.51 -31.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.465 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 83.4 mm-40 -55.42 -58.67 6.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 168.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 26.7 ttpt -78.41 1.01 23.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.001 -165.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.515 ' NE2' HD21 ' A' ' 36' ' ' LEU . 62.6 m80 -117.23 -1.36 11.84 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 117.965 -1.494 . . . . 0.0 114.049 164.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.417 HD21 HG13 ' A' ' 47' ' ' ILE . 3.4 mm? -122.17 -43.01 2.34 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.765 0.711 . . . . 0.0 111.304 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . 0.425 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -125.37 -17.88 5.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -166.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.553 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 10.3 mtmt . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.305 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -122.77 137.31 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.91 16.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.3 m -66.21 -13.21 59.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.188 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.55 -6.33 59.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -101.88 2.3 37.94 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.116 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.3 mt -123.96 -27.92 3.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.696 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . 0.462 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 23.1 mt-10 -146.71 151.72 37.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.37 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -132.31 145.48 34.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.62 133.05 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 110.764 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.64 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -57.03 165.06 1.97 Allowed Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.296 -0.865 . . . . 0.0 113.178 -170.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.64 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 82.3 Cg_exo -51.75 -28.33 29.86 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.066 2.51 . . . . 0.0 114.493 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -153.4 -31.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -166.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 27.7 p -117.01 43.89 2.19 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.931 -1.108 . . . . 0.0 113.852 -166.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.516 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 26.39 2.22 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.463 -0.79 . . . . 0.0 108.941 -177.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.6 ptp180 -147.72 -25.04 0.37 Allowed 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -164.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -128.95 -34.3 1.94 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.954 -175.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.59 19.44 51.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.89 159.62 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 111.014 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.509 ' O ' ' HB ' ' C' ' 24' ' ' THR . 28.2 mm -125.75 107.7 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 59.15 45.25 14.73 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.226 0.329 . . . . 0.0 111.161 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.63 5.66 18.87 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.466 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -118.71 145.77 38.41 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.247 -0.476 . . . . 0.0 111.007 -172.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -53.92 133.1 53.19 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.397 2.731 . . . . 0.0 112.221 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.6 t -85.58 137.46 36.31 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -170.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -30.11 -53.35 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.958 1 C-N-CA 126.02 4.48 . . . . 0.0 116.191 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.19 -1.59 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.477 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 15.3 p -133.2 103.73 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -80.37 51.39 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.65 4.84 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.213 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -113.09 -39.42 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 116.92 -39.31 2.71 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -114.16 163.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 112.198 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 11.5 pt -124.86 160.98 29.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.159 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.545 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -87.2 156.54 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -107.41 175.22 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.122 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.89 67.42 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . 0.455 HE21 HD21 ' C' ' 8' ' ' LEU . 14.8 tt0 -58.69 -43.99 90.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.766 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . 0.435 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.06 -30.65 74.09 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.998 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.548 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.4 m-85 -69.38 -32.85 72.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.703 -0.292 . . . . 0.0 110.977 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.82 -35.18 74.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.333 0.587 . . . . 0.0 110.789 173.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.49 -14.33 43.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.78 -174.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.11 -42.11 19.59 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.689 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.07 -25.25 63.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.0 0.428 . . . . 0.0 110.78 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 63.3 t80 -75.02 -40.04 60.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.331 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.722 HG21 HG22 ' A' ' 47' ' ' ILE . 22.7 pt -79.4 -31.35 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.497 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 83.9 mm-40 -55.28 -58.7 6.62 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.713 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.568 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.7 ttpt -78.85 0.92 25.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.373 -0.83 . . . . 0.0 113.002 -165.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.486 ' NE2' HD21 ' B' ' 36' ' ' LEU . 61.6 m80 -116.75 -1.61 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.901 -1.52 . . . . 0.0 113.947 164.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.436 HD21 HG13 ' B' ' 47' ' ' ILE . 3.4 mm? -121.69 -45.32 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.992 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . 0.421 ' OD1' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.38 -17.28 6.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -166.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.338 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.96 137.2 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.632 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 147.72 49.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.532 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.58 -18.88 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.527 -175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.07 -2.34 55.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.218 -174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -101.38 -21.25 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 46' ' ' PHE . 7.9 mp -108.42 -10.41 15.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 0.0 110.609 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.412 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 42.4 mt-10 -141.03 142.99 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.521 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.57 142.62 43.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.802 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.12 131.55 47.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.181 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.867 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 49.3 t -62.7 153.88 76.77 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.267 -169.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.867 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 Cg_exo -38.37 -36.46 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.585 2.856 . . . . 0.0 114.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.522 ' HD3' HG23 ' A' ' 21' ' ' ILE . 63.1 tttp -143.64 -30.59 0.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -166.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 20.2 p -117.05 47.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -169.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.86 27.61 1.76 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -177.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -148.53 -26.82 0.32 Allowed 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -39.9 2.41 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.937 -169.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.523 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 94.49 14.28 51.06 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.966 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.6 pt-20 -153.01 164.54 37.8 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.522 HG23 ' HD3' ' A' ' 14' ' ' LYS . 16.9 mt -132.98 121.67 44.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 172.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.85 42.13 31.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 123.972 0.795 . . . . 0.0 110.757 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.2 -2.68 50.76 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.752 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.6 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -119.17 160.91 39.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 O-C-N 122.693 -0.298 . . . . 0.0 111.559 -173.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.6 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -57.09 137.59 82.55 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.018 2.479 . . . . 0.0 111.814 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 40.7 t -91.09 140.98 26.03 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -171.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 46.9 Cg_exo -27.42 -52.55 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.041 1 C-N-CA 126.274 4.649 . . . . 0.0 116.717 -178.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 -5.21 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -167.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 29.3 p -132.94 99.43 4.58 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.3 m -77.92 55.85 1.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.05 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.523 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 88.75 47.12 4.34 Favored Glycine 0 CA--C 1.504 -0.641 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.507 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -119.05 -37.38 3.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -172.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.42 -39.56 2.82 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.7 m -125.77 169.27 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.068 0.461 . . . . 0.0 111.989 -176.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 pt -129.25 161.07 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.843 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 44' ' ' LEU . 4.6 mp -87.6 164.41 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -106.19 177.75 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.362 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.98 77.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.454 0.57 . . . . 0.0 111.7 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.88 -41.01 95.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.69 0.281 . . . . 0.0 110.812 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.18 73.78 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.575 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.585 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.3 m-85 -69.75 -33.02 71.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.779 -0.211 . . . . 0.0 110.919 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.06 -32.38 70.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.301 0.572 . . . . 0.0 110.537 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.41 -14.1 44.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.723 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -83.59 -40.2 19.37 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.836 179.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.38 -23.13 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.437 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' C' ' 9' ' ' GLU . 1.6 t80 -73.83 -44.26 56.19 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.403 0.621 . . . . 0.0 110.015 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.703 HG21 HG22 ' B' ' 47' ' ' ILE . 19.1 pt -79.84 -28.31 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.48 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.1 mm-40 -54.89 -58.69 6.57 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.443 0.64 . . . . 0.0 109.525 166.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.656 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 9.1 ttpt -78.96 -3.0 42.78 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.181 -165.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.437 ' HB2' HD11 ' C' ' 47' ' ' ILE . 28.5 m80 -117.74 -0.63 11.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 116.719 -1.992 . . . . 0.0 113.979 168.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.474 HD21 ' HB ' ' C' ' 47' ' ' ILE . 3.6 mm? -119.01 -33.34 4.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.389 0.541 . . . . 0.0 111.31 172.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.71 -30.77 2.75 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -167.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.656 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 8.6 mtmm . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.635 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.507 0.67 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 tt -130.07 137.26 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.18 147.72 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.534 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -61.82 -19.42 62.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.358 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -83.25 -1.66 53.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.299 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 -20.42 14.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -109.06 -10.22 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 110.627 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.439 ' HG3' ' CE1' ' C' ' 46' ' ' PHE . 42.5 mt-10 -141.04 143.17 34.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.599 174.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.86 142.75 42.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.027 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.468 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.48 133.4 51.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 1.001 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 50.9 t -71.14 154.67 93.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.701 -166.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 1.001 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.7 Cg_exo -36.24 -42.9 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 124.217 3.278 . . . . 0.0 114.797 -177.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.561 ' HD3' HG23 ' B' ' 21' ' ' ILE . 58.9 tttp -140.26 -26.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.693 -168.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' B' ' 26' ' ' CYS . 14.7 p -116.09 109.9 18.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.919 0.866 . . . . 0.0 111.561 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -152.84 15.45 0.56 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -177.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -148.49 -30.17 0.28 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.272 -159.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.91 -39.72 2.81 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.977 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.66 39.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.238 -0.982 . . . . 0.0 111.852 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 2.2 pt-20 -154.27 170.83 20.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.561 HG23 ' HD3' ' B' ' 14' ' ' LYS . 13.6 mt -138.41 122.52 21.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 171.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.55 43.44 30.27 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.075 0.859 . . . . 0.0 110.372 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.42 0.72 39.87 Favored Glycine 0 CA--C 1.522 0.515 0 CA-C-N 116.181 -0.463 . . . . 0.0 113.973 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.552 ' OG1' ' HD2' ' B' ' 25' ' ' PRO . 0.5 OUTLIER -120.0 159.97 44.83 Favored Pre-proline 0 C--N 1.319 -0.755 0 O-C-N 122.578 -0.366 . . . . 0.0 111.648 -172.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.552 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 19.2 Cg_endo -58.16 135.33 67.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.012 2.475 . . . . 0.0 111.54 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.667 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 53.0 t -91.58 140.76 25.33 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.505 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.552 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.4 Cg_exo -27.36 -53.51 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 126.34 4.693 . . . . 0.0 116.385 -177.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.93 -4.38 4.55 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -167.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 32.0 p -135.48 105.4 6.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -81.41 55.98 2.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.111 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 53.91 2.55 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.205 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -125.75 -42.69 1.9 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 116.97 -37.61 3.29 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.193 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.5 m -127.04 170.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.346 -0.502 . . . . 0.0 111.612 -175.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 pt -130.19 160.06 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.904 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.456 HD22 HD23 ' B' ' 44' ' ' LEU . 4.7 mp -86.94 164.51 16.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -170.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 52.7 p -106.0 176.63 5.1 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.345 173.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.23 74.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.327 0.512 . . . . 0.0 111.763 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.36 -41.42 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.42 75.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.671 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.589 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.4 m-85 -70.16 -32.68 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.456 0.169 . . . . 0.0 110.936 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.08 -32.66 70.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.437 0.637 . . . . 0.0 110.683 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.15 -14.39 44.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.712 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -83.03 -40.15 20.3 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.022 178.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.4 -23.39 62.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.331 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HG3' ' A' ' 9' ' ' GLU . 1.5 t80 -73.67 -44.77 55.86 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.426 0.631 . . . . 0.0 110.044 174.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.718 HG21 HG22 ' C' ' 47' ' ' ILE . 18.2 pt -79.51 -27.68 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.489 -173.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.0 mm-40 -55.45 -58.27 8.46 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 121.492 0.663 . . . . 0.0 109.491 166.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.637 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 9.6 ttpt -79.36 -3.53 46.7 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.169 -165.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 47' ' ' ILE . 27.1 m80 -117.33 -0.79 11.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 116.656 -2.017 . . . . 0.0 113.906 169.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.6 mm? -119.15 -32.88 4.3 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.295 0.569 . . . . 0.0 111.424 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.07 -30.28 2.71 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.981 -166.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.637 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 6.9 mtmm . . . . . 0 C--O 1.247 0.938 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.786 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.58 0.705 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -128.36 136.96 58.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.624 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.13 149.0 48.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.486 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -63.0 -18.85 63.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.286 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -83.23 -1.13 52.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -101.35 -20.61 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.227 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 7.9 mp -109.21 -11.62 14.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . 0.435 ' HG3' ' CE1' ' A' ' 46' ' ' PHE . 43.3 mt-10 -139.71 143.47 37.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.658 174.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.79 142.5 43.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.183 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.592 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.94 131.53 47.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.044 0.45 . . . . 0.0 109.959 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.909 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 42.3 t -64.93 153.24 89.04 Favored Pre-proline 0 N--CA 1.448 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.361 -168.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.909 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -36.38 -37.85 0.29 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.933 3.089 . . . . 0.0 114.765 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . 0.488 ' HD3' HG23 ' C' ' 21' ' ' ILE . 53.7 tttp -143.18 -29.73 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 25.5 p -116.61 44.8 1.94 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -166.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.592 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.13 26.8 2.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.111 0.482 . . . . 0.0 109.988 -175.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.434 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.8 ptp180 -148.3 -22.97 0.34 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -164.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -126.61 -39.85 1.97 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.143 -170.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.529 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 94.7 14.26 50.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.073 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -154.76 164.17 39.19 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.488 HG23 ' HD3' ' C' ' 14' ' ' LYS . 9.3 mt -133.47 119.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 57.19 42.05 26.07 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.111 0.882 . . . . 0.0 110.395 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.72 1.69 54.62 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.209 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.593 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.6 OUTLIER -120.74 160.67 43.52 Favored Pre-proline 0 C--N 1.318 -0.777 0 O-C-N 122.702 -0.293 . . . . 0.0 111.659 -174.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . 0.593 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 18.1 Cg_endo -57.03 137.58 82.57 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.896 2.397 . . . . 0.0 111.463 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.4 t -93.45 140.41 23.17 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.671 -170.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.551 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 61.0 Cg_exo -27.84 -52.01 0.12 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.394 4.729 . . . . 0.0 116.721 -177.55 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.83 -6.16 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -168.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 15.5 p -130.96 99.52 4.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -78.16 55.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.529 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.42 48.48 3.99 Favored Glycine 0 CA--C 1.504 -0.634 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.189 175.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -119.83 -37.85 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.85 -39.29 2.91 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.9 m -126.8 169.25 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.447 -0.443 . . . . 0.0 111.871 -176.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -128.57 161.49 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.831 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -87.7 164.89 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -170.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 45.2 p -105.87 177.93 4.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.355 173.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.36 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.447 0.567 . . . . 0.0 111.839 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.59 -39.81 92.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.44 76.73 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.643 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.629 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.2 m-85 -70.07 -31.16 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.417 0.287 . . . . 0.0 111.083 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 15.3 m -71.8 -32.49 67.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.23 0.538 . . . . 0.0 110.526 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.95 -14.86 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.087 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -81.77 -40.91 21.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.871 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.0 -23.64 63.17 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.363 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 9' ' ' GLU . 1.5 t80 -73.66 -44.52 56.53 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.439 0.637 . . . . 0.0 109.942 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.718 HG22 HG21 ' B' ' 47' ' ' ILE . 18.4 pt -79.62 -28.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.476 -173.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -54.87 -58.74 6.38 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.508 0.67 . . . . 0.0 109.524 166.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.645 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 9.1 ttpt -79.09 -3.35 44.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.412 -164.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.401 ' HB2' HD11 ' B' ' 47' ' ' ILE . 26.5 m80 -117.62 -0.62 11.81 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 116.892 -1.923 . . . . 0.0 113.834 169.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.6 mm? -118.78 -33.19 4.31 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.581 0.628 . . . . 0.0 111.412 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.76 -31.36 2.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.777 -166.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.645 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 7.6 mtmm . . . . . 0 C--O 1.244 0.801 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.728 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 122.166 0.984 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.92 129.91 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.794 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.44 149.25 43.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.91 -15.14 40.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.757 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.57 -7.92 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.7 -15.76 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 111.078 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.1 -16.54 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.044 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' OE2' ' HG ' ' A' ' 36' ' ' LEU . 4.1 mt-10 -140.29 139.59 35.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.38 148.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.55 134.94 55.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.94 170.16 2.83 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.129 0.972 . . . . 0.0 113.505 -171.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.681 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 64.1 Cg_exo -47.22 -41.34 27.62 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.179 2.586 . . . . 0.0 113.801 173.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -147.11 -27.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 25.2 p -115.32 42.68 2.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 -168.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.665 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -89.56 26.95 1.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.384 0.611 . . . . 0.0 109.479 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -146.98 -21.16 0.41 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -166.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.69 -33.03 1.09 Allowed 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.656 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 86.48 22.49 47.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.201 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -147.52 159.42 43.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 0.0 111.279 -175.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' THR . 36.1 mm -128.07 106.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 173.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 60.41 50.31 6.13 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.616 0.572 . . . . 0.0 111.226 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.94 2.32 8.01 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.767 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -119.82 146.19 41.24 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.569 -0.316 . . . . 0.0 110.793 -168.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -53.99 130.09 37.58 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.128 2.552 . . . . 0.0 112.597 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 41.9 t -82.97 132.81 49.8 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -30.42 -62.56 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 126.205 4.603 . . . . 0.0 116.632 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.16 -3.0 10.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -164.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 29.1 p -123.24 -2.15 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 118.574 -1.25 . . . . 0.0 112.683 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.3 m 40.18 31.71 0.1 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 96.26 26.75 10.73 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.347 -0.93 . . . . 0.0 114.424 176.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 29' ' ' CYS . 8.0 mtmp? -100.08 -35.82 9.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.329 1.064 . . . . 0.0 110.356 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 111.43 -39.8 2.76 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.41 162.42 10.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 122.764 -0.257 . . . . 0.0 111.26 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.487 HG23 ' SG ' ' A' ' 12' ' ' CYS . 8.5 pt -124.79 158.7 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.491 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' OE2' ' A' ' 9' ' ' GLU . 3.5 mp -87.72 164.29 16.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.49 0.662 . . . . 0.0 112.494 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -105.8 179.65 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.524 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.5 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.5 0.591 . . . . 0.0 111.212 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -59.88 -44.16 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.653 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.12 72.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.933 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.618 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.8 m-85 -70.11 -32.39 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -70.36 -31.78 69.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.599 0.714 . . . . 0.0 110.059 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.8 -17.1 34.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.259 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -84.42 -43.99 14.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.905 -176.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.69 -22.3 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.286 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.1 t80 -75.06 -41.31 59.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.351 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.611 HG21 HG22 ' B' ' 47' ' ' ILE . 20.9 pt -79.82 -29.36 12.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.66 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 76.6 mm-40 -54.12 -58.84 5.83 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.251 0.548 . . . . 0.0 109.954 168.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HA ' ' OXT' ' A' ' 53' ' ' LYS . 19.3 ttmt -76.77 -3.24 37.22 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.862 -164.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -116.95 -2.43 11.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.293 -1.363 . . . . 0.0 113.382 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -120.75 -34.69 3.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.955 -0.466 . . . . 0.0 111.463 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.41 -28.49 1.87 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.326 -166.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' OXT' ' HA ' ' A' ' 49' ' ' LYS . 24.7 mtmt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.015 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 122.129 0.966 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -140.05 129.8 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.664 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.91 42.71 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.11 0.481 . . . . 0.0 110.37 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -63.39 -14.22 47.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.75 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -81.06 -9.59 59.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.648 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -103.52 -13.9 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.916 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.03 -16.97 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 0.0 111.08 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.48 ' OE2' ' HG ' ' B' ' 36' ' ' LEU . 4.2 mt-10 -140.11 138.66 35.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.55 0.691 . . . . 0.0 109.316 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.23 147.94 32.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 134.35 53.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.131 0.491 . . . . 0.0 111.008 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.629 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.1 OUTLIER -61.69 171.19 1.48 Allowed Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.355 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 64.8 Cg_exo -47.25 -42.7 27.03 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.271 2.647 . . . . 0.0 113.692 172.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -146.31 -28.46 0.41 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -167.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 31.8 p -114.72 41.54 2.34 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.652 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.93 28.02 1.46 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.223 0.535 . . . . 0.0 109.682 -178.349 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.443 ' H ' ' H ' ' B' ' 18' ' ' ALA . 19.3 ptp180 -147.39 -21.82 0.38 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -166.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.443 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -133.69 -33.37 1.08 Allowed 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.68 -172.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.459 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 86.12 24.18 41.86 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.485 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 1.8 pt-20 -146.55 160.66 41.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.233 0.539 . . . . 0.0 111.309 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.562 ' O ' ' HB ' ' B' ' 24' ' ' THR . 39.7 mm -128.05 106.65 15.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 58.51 54.41 5.52 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.718 0.636 . . . . 0.0 110.738 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 10.18 27.2 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.222 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.562 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -127.88 145.98 57.21 Favored Pre-proline 0 C--N 1.304 -1.397 0 CA-C-N 114.976 -0.612 . . . . 0.0 111.522 -167.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 130.6 39.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.276 2.65 . . . . 0.0 112.372 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 48.5 t -86.15 132.47 43.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.147 -169.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -29.76 -63.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 1 C-N-CA 126.149 4.566 . . . . 0.0 116.493 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.07 -0.66 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -165.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.506 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.2 p -122.61 -2.38 8.9 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.432 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m 37.52 32.99 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 95.37 26.91 11.33 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.385 -0.912 . . . . 0.0 114.399 175.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 29' ' ' CYS . 8.0 mtmp? -100.6 -35.59 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.111 0.955 . . . . 0.0 110.4 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.18 -39.53 2.86 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' B' ' 11' ' ' ALA . 25.1 m -112.43 162.76 10.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 122.708 -0.289 . . . . 0.0 111.197 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.629 HG23 ' SG ' ' B' ' 12' ' ' CYS . 7.1 pt -124.41 158.87 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 3.4 mp -87.83 163.87 16.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.546 0.689 . . . . 0.0 112.351 -172.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.56 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.516 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.81 79.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.5 0.591 . . . . 0.0 111.433 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -59.91 -44.24 94.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 110.599 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.83 -31.08 72.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.976 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.626 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.5 m-85 -70.12 -32.57 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.154 0.181 . . . . 0.0 111.41 178.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -70.44 -31.71 69.0 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.502 0.668 . . . . 0.0 109.939 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.2 mp -86.64 -16.72 35.76 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.213 -176.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -84.71 -44.01 13.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.074 -176.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.45 -22.47 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.259 0.552 . . . . 0.0 110.206 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -74.9 -41.33 59.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.33 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.624 HG21 HG22 ' C' ' 47' ' ' ILE . 21.6 pt -79.96 -29.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.728 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.1 mm-40 -54.5 -58.76 6.22 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 121.032 0.444 . . . . 0.0 110.053 168.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.511 ' HA ' ' OXT' ' B' ' 53' ' ' LYS . 18.7 ttmt -76.89 -3.39 38.39 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.905 -165.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -117.05 -1.95 11.81 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 118.253 -1.379 . . . . 0.0 113.5 170.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.06 -36.65 3.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 111.577 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . 0.423 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -128.45 -29.19 2.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.094 -166.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.511 ' OXT' ' HA ' ' B' ' 49' ' ' LYS . 25.2 mtmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.617 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.889 0.852 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.41 129.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.698 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.55 148.99 43.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.084 0.469 . . . . 0.0 110.49 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -61.65 -15.86 43.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.044 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.77 -8.92 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.84 -14.34 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.89 -17.28 12.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 111.035 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . 0.484 ' OE2' ' HG ' ' C' ' 36' ' ' LEU . 4.0 mt-10 -139.75 139.45 36.49 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.96 148.41 31.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.669 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.97 135.23 55.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.073 0.463 . . . . 0.0 110.951 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' C' ' 35' ' ' ILE . 0.1 OUTLIER -61.34 170.95 1.41 Allowed Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -171.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.468 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 65.1 Cg_exo -47.11 -41.61 26.73 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.289 2.659 . . . . 0.0 113.84 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -147.76 -29.64 0.33 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -166.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 15.0 p -115.17 41.65 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -165.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.669 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.41 27.68 1.64 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.305 0.574 . . . . 0.0 109.801 -178.137 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -146.44 -18.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -166.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.06 -34.75 0.79 Allowed 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.673 -171.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.472 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 87.49 22.76 42.42 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.688 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -146.53 159.49 43.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.201 0.501 . . . . 0.0 111.501 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.647 ' O ' ' HB ' ' C' ' 24' ' ' THR . 37.1 mm -127.14 105.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.07 54.02 5.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.567 0.542 . . . . 0.0 110.838 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 9.77 26.24 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.1 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.9 m -126.98 144.25 49.68 Favored Pre-proline 0 C--N 1.303 -1.421 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.971 -166.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.23 130.38 39.41 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.261 2.641 . . . . 0.0 112.43 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' C' ' 29' ' ' CYS . 44.4 t -85.29 133.51 42.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -169.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -30.63 -63.59 0.1 Allowed 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 126.056 4.504 . . . . 0.0 116.494 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.7 -1.26 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -164.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' C' ' 26' ' ' CYS . 30.8 p -122.31 -2.33 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.569 -1.253 . . . . 0.0 112.555 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m 40.29 30.24 0.07 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.3 31.49 7.95 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.459 -0.876 . . . . 0.0 114.089 176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' C' ' 29' ' ' CYS . 7.8 mtmp? -103.67 -36.29 7.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 117.794 0.797 . . . . 0.0 110.357 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.63 -39.46 2.88 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -176.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -112.89 162.32 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 122.634 -0.333 . . . . 0.0 111.295 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.596 HG23 ' SG ' ' C' ' 12' ' ' CYS . 7.4 pt -124.71 158.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.481 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' OE2' ' C' ' 9' ' ' GLU . 3.5 mp -87.98 164.32 15.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.579 0.704 . . . . 0.0 112.574 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 80.7 p -105.82 178.48 4.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.561 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.98 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.529 0.604 . . . . 0.0 111.271 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -59.4 -45.6 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.616 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.76 -31.04 75.07 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.939 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.62 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.4 m-85 -70.55 -31.04 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -71.14 -32.15 68.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.584 0.707 . . . . 0.0 110.013 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.38 -17.46 34.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -83.97 -43.85 14.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.148 -176.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -71.65 -22.38 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.277 0.561 . . . . 0.0 110.159 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.484 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.8 t80 -75.05 -41.3 59.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.283 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.624 HG22 HG21 ' B' ' 47' ' ' ILE . 21.0 pt -79.99 -28.75 12.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.712 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 77.4 mm-40 -54.87 -58.63 6.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 121.132 0.492 . . . . 0.0 110.069 168.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.46 ' HA ' ' OXT' ' C' ' 53' ' ' LYS . 18.6 ttmt -77.03 -3.31 38.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.964 -165.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -116.87 -2.54 11.79 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.232 -1.387 . . . . 0.0 113.296 170.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.6 mm? -120.84 -36.13 3.22 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.184 0.516 . . . . 0.0 111.629 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.53 -28.17 2.31 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.227 -166.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.46 ' OXT' ' HA ' ' C' ' 49' ' ' LYS . 24.3 mtmt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.419 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.8 140.58 42.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.744 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.83 7.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.179 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -60.64 -23.05 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.78 -5.01 56.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -101.73 4.88 41.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 110.669 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.7 mt -131.69 -33.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -135.87 143.53 45.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.17 141.99 44.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.182 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.91 132.93 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.11 0.481 . . . . 0.0 111.425 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.788 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.4 t -66.21 162.87 43.77 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.404 1.082 . . . . 0.0 111.626 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.788 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 42.4 Cg_exo -41.41 -40.68 4.89 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.622 2.881 . . . . 0.0 116.066 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 21' ' ' ILE . 64.3 tttp -143.56 -36.73 0.36 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -156.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -115.74 34.11 5.12 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 120.268 1.394 . . . . 0.0 112.649 -161.085 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.778 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 13.4 mm-40 -98.62 42.6 1.09 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.19 1.472 . . . . 0.0 108.875 -164.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -147.1 -27.31 0.39 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.37 -2.65 . . . . 0.0 106.564 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.88 -35.95 3.77 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.42 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.85 19.84 55.14 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.55 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 5.3 pt-20 -158.76 156.21 29.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.585 ' O ' ' HB ' ' A' ' 24' ' ' THR . 51.7 mt -128.14 113.23 29.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 58.58 45.31 16.38 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.758 0.661 . . . . 0.0 111.563 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.89 8.6 35.46 Favored Glycine 0 CA--C 1.503 -0.673 0 C-N-CA 119.85 -1.166 . . . . 0.0 111.991 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -120.25 146.91 43.73 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.107 -0.546 . . . . 0.0 111.616 -173.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.58 137.8 73.94 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.307 2.671 . . . . 0.0 111.838 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.1 t -89.05 131.4 41.18 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.368 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD2' HD12 ' A' ' 21' ' ' ILE . 44.0 Cg_exo -38.5 -52.73 1.94 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 125.234 3.956 . . . . 0.0 115.373 -172.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.45 -15.71 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.847 -167.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 24.3 p -135.87 111.74 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.645 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -82.53 49.72 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.35 60.21 1.12 Allowed Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.075 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' B' ' 49' ' ' LYS . 51.6 mttm -123.66 -50.87 1.84 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.38 0.609 . . . . 0.0 109.433 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.598 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . 120.97 -36.15 3.43 Favored Glycine 0 N--CA 1.434 -1.497 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -167.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.12 165.68 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.279 -1.13 . . . . 0.0 113.323 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 pt -124.02 169.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.687 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD22 HD23 ' A' ' 44' ' ' LEU . 2.6 mp -87.4 153.59 21.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -107.18 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.28 64.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -52.08 -48.76 64.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.225 0.536 . . . . 0.0 110.518 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.23 -29.02 73.09 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.798 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -69.11 -35.81 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.569 -0.371 . . . . 0.0 111.661 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -69.98 -30.44 67.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.616 0.722 . . . . 0.0 110.144 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.5 -17.72 33.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.622 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -80.54 -42.98 21.44 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.957 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.5 -22.88 62.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.708 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 71.0 t80 -76.2 -41.06 50.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.395 174.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.625 HG22 HG21 ' C' ' 47' ' ' ILE . 20.2 pt -79.98 -28.23 12.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.393 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.2 mm-40 -55.45 -57.03 13.59 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.675 0.75 . . . . 0.0 109.232 165.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.8 ttmt -78.32 -7.12 56.88 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.245 -1.343 . . . . 0.0 112.962 -163.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.53 -0.9 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 117.778 -1.569 . . . . 0.0 114.142 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.4 mm? -117.96 -42.27 2.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.478 0.656 . . . . 0.0 110.874 171.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -116.63 -31.91 5.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.199 -165.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.1 mtmt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.377 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.689 0.756 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -139.37 140.69 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.765 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.16 171.4 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.256 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.19 -23.43 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.458 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.03 -4.36 54.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -101.4 2.05 39.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.486 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.5 mt -128.67 -34.1 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.924 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -135.58 142.43 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.429 0.633 . . . . 0.0 110.884 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.26 141.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 131.83 47.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.232 0.539 . . . . 0.0 111.189 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.844 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 1.7 t -65.49 163.56 32.49 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.754 1.221 . . . . 0.0 112.093 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.844 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -41.47 -42.31 5.62 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.518 2.812 . . . . 0.0 116.221 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.463 ' HD3' HG23 ' B' ' 21' ' ' ILE . 65.4 tttp -144.8 -34.42 0.36 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -156.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.73 ' HB2' ' O ' ' B' ' 20' ' ' GLU . 0.8 OUTLIER -114.79 33.01 5.62 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 120.466 1.484 . . . . 0.0 113.017 -161.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.783 ' CD ' ' HB3' ' B' ' 12' ' ' CYS . 13.3 mm-40 -100.54 42.65 1.1 Allowed 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 123.461 1.601 . . . . 0.0 109.258 -163.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' B' ' 18' ' ' ALA . 2.9 ptm180 -147.21 -24.37 0.39 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.42 -2.627 . . . . 0.0 106.782 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -120.45 -36.43 3.21 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.532 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.14 57.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.989 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.73 ' O ' ' HB2' ' B' ' 15' ' ' CYS . 6.4 pt-20 -155.17 157.05 36.8 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.271 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.612 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 41.4 mt -129.84 113.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 57.41 46.42 18.23 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.056 0.848 . . . . 0.0 111.369 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.443 ' HA2' ' OE1' ' B' ' 20' ' ' GLU . . . 63.92 12.12 47.15 Favored Glycine 0 CA--C 1.507 -0.435 0 C-N-CA 119.864 -1.16 . . . . 0.0 112.006 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -124.77 144.72 47.49 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 114.706 -0.747 . . . . 0.0 111.425 -171.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.49 134.01 55.82 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.379 2.72 . . . . 0.0 112.059 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 42.8 t -84.39 131.08 51.47 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.484 -171.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -38.02 -54.11 1.44 Allowed 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 124.943 3.762 . . . . 0.0 115.424 -174.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 -15.41 14.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.35 -168.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 15.7 p -137.47 114.23 10.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -82.11 48.31 1.23 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.61 61.39 1.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.424 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.43 ' HD3' ' HG2' ' C' ' 49' ' ' LYS . 51.6 mttm -123.83 -50.52 1.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.502 0.668 . . . . 0.0 109.226 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.614 ' O ' ' HB3' ' B' ' 16' ' ' GLU . . . 120.77 -36.39 3.37 Favored Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -167.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -130.09 165.63 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 121.234 -1.156 . . . . 0.0 113.421 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 pt -123.93 169.66 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.756 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.464 HD22 HD23 ' B' ' 44' ' ' LEU . 2.6 mp -87.77 153.0 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -172.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -107.02 176.81 5.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.89 -48.02 67.48 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -51.99 -49.13 63.89 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.261 0.553 . . . . 0.0 110.643 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.29 -28.99 73.04 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.914 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -69.14 -35.4 76.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.517 -0.402 . . . . 0.0 111.702 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.631 0.729 . . . . 0.0 110.203 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -86.15 -17.84 33.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.587 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -80.44 -43.04 21.61 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.098 -179.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.51 -22.76 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 110.607 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.431 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 72.0 t80 -76.12 -41.35 50.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.601 HG22 HG21 ' A' ' 47' ' ' ILE . 19.8 pt -79.83 -28.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.416 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.8 mm-40 -55.93 -56.18 23.79 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 166.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.509 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.5 ttmt -78.52 -7.61 57.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.864 -163.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.36 -1.08 11.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 117.69 -1.604 . . . . 0.0 114.297 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.4 mm? -117.26 -43.42 2.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.541 0.686 . . . . 0.0 110.549 170.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.3 -33.74 5.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.114 -165.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--O 1.244 0.767 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.693 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 121.782 0.801 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -136.08 140.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.822 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 172.65 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.383 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -61.24 -23.92 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.202 0.525 . . . . 0.0 110.881 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.18 -3.68 52.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.013 -174.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.48 2.98 39.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.981 0.42 . . . . 0.0 110.419 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.85 -34.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.83 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -135.57 143.79 45.84 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.735 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.76 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.075 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 133.92 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.177 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.839 ' HB3' ' CD ' ' C' ' 16' ' ' GLU . 2.6 t -65.13 163.12 33.32 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.434 1.094 . . . . 0.0 111.684 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.815 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 31.8 Cg_exo -41.45 -42.28 5.57 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.518 2.812 . . . . 0.0 116.029 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . 0.476 ' HD3' HG23 ' C' ' 21' ' ' ILE . 65.3 tttp -143.21 -35.9 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 -156.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.72 ' HB2' ' O ' ' C' ' 20' ' ' GLU . 1.1 p -115.21 34.06 5.09 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 120.606 1.548 . . . . 0.0 112.912 -160.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.839 ' CD ' ' HB3' ' C' ' 12' ' ' CYS . 12.5 mm-40 -99.91 43.52 1.06 Allowed 'General case' 0 C--N 1.28 -2.445 0 CA-C-O 123.255 1.502 . . . . 0.0 109.042 -163.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -147.24 -26.16 0.39 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 111.563 -2.562 . . . . 0.0 106.689 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.34 -35.91 3.48 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.608 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.85 17.43 56.44 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.076 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.72 ' O ' ' HB2' ' C' ' 15' ' ' CYS . 4.4 pt-20 -155.76 157.48 36.6 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.112 0.482 . . . . 0.0 110.419 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.627 ' O ' ' HB ' ' C' ' 24' ' ' THR . 38.3 mt -129.53 112.82 25.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 57.79 47.76 14.9 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.077 0.86 . . . . 0.0 111.257 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 11.05 41.43 Favored Glycine 0 CA--C 1.508 -0.4 0 C-N-CA 120.311 -0.947 . . . . 0.0 111.903 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.3 m -123.97 144.14 44.25 Favored Pre-proline 0 C--N 1.308 -1.218 0 CA-C-N 114.736 -0.732 . . . . 0.0 111.294 -170.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -53.89 135.55 63.51 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.084 2.523 . . . . 0.0 111.958 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.3 t -87.32 130.09 48.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.77 -170.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -36.89 -52.66 1.27 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 125.219 3.946 . . . . 0.0 115.657 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.15 -18.91 13.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.214 -168.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 31.5 p -131.59 107.56 8.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -80.59 54.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.091 0.472 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 57.59 1.63 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.518 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -122.13 -49.39 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.466 0.65 . . . . 0.0 109.755 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.593 ' O ' ' HB3' ' C' ' 16' ' ' GLU . . . 120.03 -36.41 3.45 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.99 166.07 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.305 -1.115 . . . . 0.0 113.118 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 29.6 pt -123.98 170.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.654 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.46 HD22 HD23 ' C' ' 44' ' ' LEU . 2.6 mp -87.79 153.66 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.516 0.674 . . . . 0.0 112.798 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -107.38 176.37 5.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.188 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.02 63.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -51.51 -48.94 62.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.202 0.525 . . . . 0.0 110.417 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.29 -29.48 73.2 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.84 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.581 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.9 m-85 -69.05 -35.24 76.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.56 -0.376 . . . . 0.0 111.59 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.4 m -70.41 -31.01 68.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.627 0.727 . . . . 0.0 110.217 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -86.28 -17.46 34.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.544 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -80.52 -43.09 21.32 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.997 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.6 -22.7 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.632 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.426 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 71.7 t80 -76.06 -41.37 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.514 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.625 HG21 HG22 ' A' ' 47' ' ' ILE . 20.4 pt -79.75 -28.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.442 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.4 mm-40 -55.82 -56.26 22.69 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.688 0.756 . . . . 0.0 109.296 166.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.512 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 31.7 ttmt -78.2 -8.58 58.5 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.852 -163.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.86 -1.26 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.718 -1.593 . . . . 0.0 114.18 173.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.4 mm? -117.08 -42.39 2.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.771 170.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -116.09 -32.82 5.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.141 -165.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.5 mtmt . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.887 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.198 0.523 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.12 135.98 54.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 148.41 46.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.861 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -12.9 58.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.452 -175.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.28 -3.54 52.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -103.81 -16.31 15.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.67 -22.57 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.402 . . . . 0.0 111.205 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -126.05 127.05 45.24 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.407 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.57 141.6 44.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.853 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.597 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.02 130.04 42.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.0 110.677 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.886 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 43.6 t -63.61 158.84 56.76 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -169.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.886 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 33.4 Cg_exo -37.98 -39.43 0.89 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.427 2.751 . . . . 0.0 115.171 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -145.88 -26.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 15.2 p -118.66 47.26 1.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -172.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.58 23.75 2.91 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 122.185 -0.322 . . . . 0.0 111.465 -175.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -15.63 0.36 Allowed 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.63 -39.85 3.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.094 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.29 15.67 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.486 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.2 pt-20 -155.54 161.77 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.649 -0.324 . . . . 0.0 110.357 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.416 HG13 ' HG ' ' A' ' 15' ' ' CYS . 14.9 mt -141.33 121.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 55.36 42.03 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.76 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.04 10.81 7.45 Favored Glycine 0 CA--C 1.51 -0.257 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.857 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.77 145.41 39.33 Favored Pre-proline 0 N--CA 1.437 -1.111 0 C-N-CA 122.836 0.454 . . . . 0.0 110.444 -172.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.98 126.08 21.07 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.09 2.527 . . . . 0.0 112.291 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 53.0 t -78.28 136.42 60.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.064 -171.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -27.47 -57.34 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.987 1 C-N-CA 126.524 4.816 . . . . 0.0 116.631 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.05 -7.1 7.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.13 0.49 . . . . 0.0 111.823 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 29.2 p -131.53 93.41 3.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 p -75.93 53.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.2 0.524 . . . . 0.0 112.076 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 97.07 47.89 2.16 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.341 173.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -116.0 -47.63 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.773 0.796 . . . . 0.0 108.919 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 119.22 -39.2 2.59 Favored Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.74 161.11 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.819 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 pt -124.93 169.62 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.937 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 2.9 mp -88.46 161.74 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -174.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.3 p -105.74 -177.09 3.26 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.288 172.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.7 89.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.739 0.7 . . . . 0.0 111.269 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.18 -39.11 85.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.423 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.78 73.67 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.823 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.642 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.7 m-85 -69.96 -34.1 72.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.4 m -69.84 -31.87 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.465 0.65 . . . . 0.0 110.377 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.1 mp -85.48 -21.48 28.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.834 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.68 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -78.32 -44.96 23.84 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.681 -176.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.48 -21.26 61.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.486 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 63.7 t80 -75.75 -43.34 47.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.24 173.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.566 HG22 HG21 ' C' ' 47' ' ' ILE . 18.6 pt -79.47 -26.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.312 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.3 mm-40 -57.87 -59.06 5.82 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 165.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -77.54 -3.97 43.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.364 -165.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -116.8 -1.85 11.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 118.147 -1.421 . . . . 0.0 113.767 169.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.5 mm? -120.67 -55.46 2.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.376 0.608 . . . . 0.0 111.027 172.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -106.39 -22.97 12.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.866 -168.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 19.3 mtmt . . . . . 0 C--O 1.245 0.85 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.296 0.57 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.72 135.74 56.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.696 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.32 45.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -14.49 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.406 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.51 -2.71 50.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.325 -176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -104.16 -17.55 14.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.31 -22.36 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 111.285 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -125.95 127.75 46.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.436 176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.07 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.942 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.582 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.43 129.71 41.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.934 0.397 . . . . 0.0 110.558 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.926 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 44.2 t -64.58 158.06 69.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.808 0.843 . . . . 0.0 113.198 -168.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.926 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 33.9 Cg_exo -37.33 -37.17 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.515 2.81 . . . . 0.0 115.696 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -148.66 -24.99 0.32 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -166.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 15.7 p -118.59 44.46 2.27 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -171.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.593 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.14 22.95 3.03 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 122.34 -0.225 . . . . 0.0 111.247 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.438 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -147.52 -15.7 0.38 Allowed 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -176.511 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.438 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -114.94 -37.85 4.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.286 -174.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 87.36 15.92 61.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.308 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -156.58 160.96 39.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 13.7 mt -141.69 123.15 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 53.7 42.06 31.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.714 0.634 . . . . 0.0 110.878 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.99 13.58 8.83 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.727 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.9 144.81 41.94 Favored Pre-proline 0 N--CA 1.433 -1.294 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.723 -173.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.78 124.22 15.72 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.099 2.532 . . . . 0.0 112.033 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 44.1 t -77.15 136.59 65.49 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.818 -169.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -28.21 -56.25 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.046 1 C-N-CA 126.412 4.741 . . . . 0.0 116.582 -177.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.13 -6.92 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -168.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 20.1 p -130.31 93.61 3.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -76.17 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.289 0.566 . . . . 0.0 111.953 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 96.66 50.85 1.76 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.975 174.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -119.02 -47.23 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.593 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 119.04 -38.82 2.72 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.4 161.75 12.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.168 0.509 . . . . 0.0 111.869 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.41 169.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.012 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.465 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 2.8 mp -88.29 160.96 17.42 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -105.45 -176.44 3.08 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.245 173.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.66 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.766 0.712 . . . . 0.0 111.161 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.19 -40.07 88.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 110.448 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.41 -32.64 75.79 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.787 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.621 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.3 m-85 -70.22 -33.06 71.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -70.3 -32.39 70.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.526 0.679 . . . . 0.0 110.421 176.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.432 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.1 mp -85.37 -21.15 28.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.92 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -78.52 -44.47 24.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.714 -176.602 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.47 -21.77 61.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.479 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.442 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -75.57 -42.92 50.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.214 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.564 HG22 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.53 -26.59 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.317 -176.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 85.2 mm-40 -57.54 -59.22 5.49 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 165.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 2.4 ttmp? -77.59 -4.0 43.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.349 -164.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.65 -1.49 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.124 -1.431 . . . . 0.0 113.789 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.5 mm? -120.63 -56.56 1.95 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.45 0.643 . . . . 0.0 110.857 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' B' ' 52' ' ' ASN . 0.3 OUTLIER -105.98 -21.99 13.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.748 -167.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.096 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 121.519 0.676 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -119.94 135.26 60.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.32 44.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.721 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -12.87 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.501 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.46 -6.39 58.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.166 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -103.38 -14.73 16.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.2 -22.25 9.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.088 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -126.23 128.25 46.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.29 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -126.51 141.89 44.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.93 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.588 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.31 129.52 40.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.486 -178.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.923 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 53.3 t -63.23 158.77 53.97 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.689 -169.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.923 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 34.0 Cg_exo -37.52 -39.07 0.64 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.515 2.81 . . . . 0.0 115.005 177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -146.28 -26.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -165.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.478 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 27.8 p -117.75 43.97 2.27 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -169.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.588 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.31 22.45 3.34 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -172.515 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -147.02 -10.29 0.44 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -176.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -120.4 -41.42 2.61 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.894 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.452 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.16 16.38 55.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.779 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.58 161.82 40.77 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.676 -0.308 . . . . 0.0 110.304 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 13.0 mt -142.29 122.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 55.47 41.1 31.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.774 -174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.77 11.11 9.67 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.689 -176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 144.45 37.19 Favored Pre-proline 0 N--CA 1.435 -1.219 0 CA-C-N 115.228 -0.486 . . . . 0.0 110.305 -172.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.58 128.17 29.23 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.066 2.511 . . . . 0.0 112.059 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.472 ' HG ' ' HG ' ' C' ' 15' ' ' CYS . 35.4 t -79.83 135.24 55.88 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.639 -169.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 62.7 Cg_exo -28.49 -55.19 0.14 Allowed 'Trans proline' 0 C--N 1.357 0.985 1 C-N-CA 126.326 4.684 . . . . 0.0 117.029 -176.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.8 -8.52 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.084 0.468 . . . . 0.0 111.636 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 29.3 p -130.14 91.24 3.08 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.5 p -74.3 53.12 0.5 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 96.9 49.21 1.96 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.012 174.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -117.88 -46.28 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.84 -39.27 2.66 Favored Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -172.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.91 161.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.059 0.457 . . . . 0.0 111.934 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 21.5 pt -124.93 169.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.943 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.445 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mp -88.38 161.22 17.21 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -105.6 -178.6 3.7 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.33 172.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.57 82.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.676 0.671 . . . . 0.0 111.487 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.97 -40.07 87.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.826 0.346 . . . . 0.0 110.436 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.51 75.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.835 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.641 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.7 m-85 -69.91 -34.49 73.57 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.291 0.236 . . . . 0.0 111.486 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -69.69 -32.0 70.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.501 0.667 . . . . 0.0 110.382 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.44 ' O ' HG12 ' C' ' 47' ' ' ILE . 6.3 mp -85.38 -21.43 28.85 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.911 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.659 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -78.34 -44.71 24.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.745 -176.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.61 -21.28 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.497 . . . . 0.0 110.535 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.465 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.5 t80 -75.83 -43.41 46.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.257 173.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.566 HG21 HG22 ' A' ' 47' ' ' ILE . 18.4 pt -79.3 -26.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.279 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -57.64 -59.22 5.53 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 165.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.4 ttmp? -77.61 -3.69 42.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.303 -165.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -116.76 -1.21 12.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 118.278 -1.369 . . . . 0.0 113.752 169.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.4 mm? -122.0 -55.88 1.86 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.365 0.603 . . . . 0.0 110.901 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . 0.469 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -106.26 -21.32 13.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.982 -167.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.291 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.692 0.758 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.452 HG22 ' HG3' ' B' ' 39' ' ' GLN . 14.3 tt -126.64 137.09 58.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.679 -177.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.66 145.25 49.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -62.27 -15.9 50.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.694 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.35 -2.04 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.496 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.3 -15.69 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.04 -13.56 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -132.26 133.74 44.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.156 173.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.51 140.27 49.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.35 136.12 56.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.883 0.373 . . . . 0.0 110.504 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.1 m -60.14 171.33 0.95 Allowed Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -45.56 -42.69 18.49 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.405 2.736 . . . . 0.0 113.522 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE2' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -162.84 -1.22 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -173.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 25.5 p -115.52 39.3 3.01 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 117.673 -1.611 . . . . 0.0 114.023 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.562 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -91.36 35.98 0.93 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.83 -16.75 0.41 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.07 -26.27 2.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.396 -170.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 78.05 33.8 39.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 114.222 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.91 160.15 43.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.31 0.555 . . . . 0.0 111.492 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.464 ' O ' ' HB ' ' A' ' 24' ' ' THR . 33.3 mm -123.37 99.93 7.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 63.69 51.85 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.756 0.66 . . . . 0.0 111.288 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.54 6.51 6.29 Favored Glycine 0 CA--C 1.51 -0.232 0 C-N-CA 120.283 -0.96 . . . . 0.0 112.757 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -119.42 146.13 40.35 Favored Pre-proline 0 N--CA 1.438 -1.065 0 CA-C-N 115.602 -0.299 . . . . 0.0 110.358 -171.351 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.24 129.7 35.91 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.427 2.752 . . . . 0.0 112.468 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 47.7 t -83.05 136.59 43.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.148 -172.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 54.1 Cg_exo -32.17 -57.57 0.26 Allowed 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 125.586 4.191 . . . . 0.0 115.861 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.49 -8.88 9.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 111.981 -167.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.551 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 14.5 p -129.07 95.22 4.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -75.3 51.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 96.53 50.5 1.83 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.828 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -118.28 -47.04 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 118.53 -38.05 3.02 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -172.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -117.75 164.58 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 111.439 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.582 HG23 ' SG ' ' A' ' 12' ' ' CYS . 11.4 pt -125.12 166.65 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.005 173.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' B' ' 50' ' ' HIS . 4.5 mp -88.51 163.87 15.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.51 0.672 . . . . 0.0 112.506 -174.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.417 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 82.7 p -105.44 177.15 4.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.371 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.8 81.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.596 0.634 . . . . 0.0 111.546 -178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' C' ' 3' ' ' ILE . 53.6 tt0 -61.02 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.891 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.99 75.17 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.882 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.618 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.2 m-85 -70.2 -33.66 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.541 0.21 . . . . 0.0 111.227 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.1 m -68.94 -31.94 71.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.532 0.682 . . . . 0.0 110.054 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.4 -11.09 50.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -87.64 -43.34 12.03 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.154 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.38 -23.71 61.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.148 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -74.02 -41.78 61.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.147 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.644 HG22 HG21 ' C' ' 47' ' ' ILE . 18.8 pt -79.55 -27.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.984 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.4 mm-40 -55.03 -58.66 6.74 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.476 0.655 . . . . 0.0 109.866 168.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 32.4 ttmt -78.51 -2.24 37.71 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.858 -1.065 . . . . 0.0 113.107 -164.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.421 ' CE1' HD21 ' C' ' 36' ' ' LEU . 22.0 m80 -117.57 -2.71 11.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 117.797 -1.561 . . . . 0.0 113.904 170.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.6 mm? -118.49 -38.99 3.06 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 173.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.35 -30.18 4.01 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.045 -166.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 26.2 mtmt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.316 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.693 0.758 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.401 HG22 ' HG3' ' C' ' 39' ' ' GLN . 14.6 tt -127.74 137.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.754 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.69 146.19 48.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -62.18 -16.7 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.185 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.88 -1.27 51.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.53 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.28 -17.09 14.97 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.67 -13.62 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.39 133.58 44.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.7 141.06 47.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.086 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.584 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 135.14 55.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.286 0.565 . . . . 0.0 110.536 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.518 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -60.55 172.28 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -171.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 56.3 Cg_exo -46.69 -42.81 23.9 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.989 2.459 . . . . 0.0 113.182 172.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.46 0.71 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 21.0 p -116.4 41.8 2.56 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.713 1.597 . . . . 0.0 113.795 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.584 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.5 OUTLIER -90.71 36.74 0.9 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.747 -176.483 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.62 -19.16 0.37 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.12 -24.41 3.43 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.485 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 76.55 34.72 43.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.687 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 8.1 pt-20 -153.23 159.96 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.505 0.669 . . . . 0.0 111.427 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.473 ' O ' ' HB ' ' B' ' 24' ' ' THR . 35.3 mm -123.06 99.73 7.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 64.13 51.02 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.766 0.666 . . . . 0.0 111.321 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.72 7.16 7.48 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.82 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -119.84 146.79 42.67 Favored Pre-proline 0 N--CA 1.438 -1.033 0 C-N-CA 122.426 0.29 . . . . 0.0 110.386 -172.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.55 129.23 33.77 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.319 2.679 . . . . 0.0 112.727 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.0 t -82.54 136.51 45.47 Favored Pre-proline 0 N--CA 1.446 -0.667 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.0 Cg_exo -32.14 -57.18 0.27 Allowed 'Trans proline' 0 C--N 1.356 0.974 1 C-N-CA 125.789 4.326 . . . . 0.0 116.137 -178.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.55 -8.29 9.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.166 0.508 . . . . 0.0 111.763 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.5 p -130.12 95.94 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -75.75 51.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.485 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 97.85 50.28 1.66 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.251 174.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -118.43 -46.15 2.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.627 0.727 . . . . 0.0 109.21 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.59 -38.46 2.95 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -171.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.1 m -117.25 164.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.986 0.422 . . . . 0.0 111.743 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 12.4 pt -125.21 166.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.985 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.431 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -88.17 164.23 15.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.506 0.67 . . . . 0.0 112.48 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.419 ' O ' ' HD1' ' B' ' 41' ' ' TYR . 81.1 p -105.83 177.23 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.459 173.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.44 -45.06 80.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.48 0.582 . . . . 0.0 111.408 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . 0.452 ' HG3' HG22 ' A' ' 3' ' ' ILE . 53.7 tt0 -60.76 -44.14 97.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.986 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.7 75.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.891 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.612 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.4 m-85 -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.57 0.224 . . . . 0.0 111.19 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -68.78 -32.31 71.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.02 -12.44 47.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.55 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -86.37 -43.52 12.79 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.237 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.31 -23.11 61.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.285 0.564 . . . . 0.0 110.105 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -74.16 -42.05 60.56 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.286 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.51 -28.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.844 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.6 mm-40 -55.06 -56.74 16.4 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.448 0.642 . . . . 0.0 109.731 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 33.4 ttmt -77.54 -5.87 51.63 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.632 -1.167 . . . . 0.0 113.004 -164.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.418 ' CE1' HD21 ' A' ' 36' ' ' LEU . 21.9 m80 -116.44 -2.45 12.04 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.659 172.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.5 mm? -119.12 -37.68 3.17 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.62 -33.16 3.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.012 -166.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.47 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.9 mtmt . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 121.62 0.724 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.409 HG22 ' HG3' ' A' ' 39' ' ' GLN . 14.4 tt -126.43 137.13 58.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.46 145.68 48.64 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 -16.36 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.9 -0.71 49.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.698 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.06 -16.95 15.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.73 -13.81 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.107 0.48 . . . . 0.0 110.479 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -132.57 132.97 43.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.193 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.2 141.23 46.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.585 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.29 134.95 55.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.856 0.36 . . . . 0.0 110.617 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.0 OUTLIER -58.13 171.84 0.53 Allowed Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 124.413 1.085 . . . . 0.0 113.508 -172.018 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.565 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 55.5 Cg_exo -46.96 -42.47 25.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.169 2.579 . . . . 0.0 113.576 171.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.4 -0.9 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -172.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 7.3 p -116.61 43.47 2.22 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.307 -1.496 . . . . 0.0 113.296 176.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.585 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -91.34 36.09 0.93 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.623 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -18.41 0.4 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.56 -25.31 3.17 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -171.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.428 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 78.79 32.1 42.01 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.994 -1.098 . . . . 0.0 114.066 177.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.7 pt-20 -152.28 160.0 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 111.413 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.541 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.0 mm -123.0 99.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 175.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 62.94 51.54 2.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.644 0.59 . . . . 0.0 111.421 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.18 9.17 10.42 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.507 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.13 145.97 43.19 Favored Pre-proline 0 N--CA 1.437 -1.088 0 CA-C-N 115.551 -0.325 . . . . 0.0 110.452 -173.125 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.46 126.62 22.9 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.289 2.659 . . . . 0.0 113.123 -176.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 50.0 t -78.32 135.24 61.72 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.497 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -31.62 -57.34 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 125.945 4.43 . . . . 0.0 116.015 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 -7.84 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -167.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.7 p -130.28 96.65 4.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.9 p -74.62 50.29 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.428 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 98.2 48.47 1.87 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.244 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -116.9 -45.17 2.78 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 109.25 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.53 -39.05 2.75 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 -172.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -116.14 164.71 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -125.5 166.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.779 173.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.424 HD22 HD23 ' C' ' 44' ' ' LEU . 4.5 mp -88.36 163.88 15.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.376 0.608 . . . . 0.0 112.398 -174.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . 0.417 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 71.0 p -105.68 175.95 5.33 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.2 -46.35 72.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.378 0.535 . . . . 0.0 111.72 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' B' ' 3' ' ' ILE . 53.6 tt0 -60.8 -43.53 98.02 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.981 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.4 -30.02 75.86 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.85 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.616 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.7 m-85 -70.4 -33.84 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.274 0.23 . . . . 0.0 111.143 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -68.52 -32.25 72.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.56 0.695 . . . . 0.0 110.008 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -87.21 -12.21 47.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.575 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -86.52 -43.43 12.74 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.073 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.25 -23.55 62.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.285 0.564 . . . . 0.0 110.195 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -74.18 -42.03 60.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.284 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.644 HG21 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.53 -27.64 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.866 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.7 mm-40 -55.22 -56.62 17.92 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.425 0.631 . . . . 0.0 109.571 168.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.492 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 32.8 ttmt -77.57 -6.36 53.42 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.915 -163.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.404 ' CE1' HD21 ' B' ' 36' ' ' LEU . 22.0 m80 -116.52 -2.56 11.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 117.968 -1.493 . . . . 0.0 113.818 172.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.5 mm? -118.52 -36.02 3.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.537 0.684 . . . . 0.0 111.111 173.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.74 -32.33 2.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.051 -165.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 21.7 mtmt . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.672 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.21 131.59 71.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.118 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 148.62 44.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -64.03 -15.13 58.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.21 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.28 -4.35 57.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.434 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.5 -15.68 15.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.951 0.405 . . . . 0.0 110.621 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.95 -17.64 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.151 0.5 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.73 131.65 37.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.836 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.56 141.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.664 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.92 131.35 47.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.193 0.52 . . . . 0.0 110.668 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.814 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.6 164.57 6.95 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.903 -169.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.814 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 66.6 Cg_exo -48.21 -33.18 21.05 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.208 2.605 . . . . 0.0 114.306 175.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -149.04 -28.96 0.27 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -115.7 44.74 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -169.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.664 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 27.76 1.82 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -148.98 -20.7 0.3 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -164.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.58 -34.31 0.77 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.674 -172.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.47 19.13 46.33 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.217 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.6 pt-20 -158.4 166.63 31.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 110.732 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 24' ' ' THR . 32.0 mm -124.2 110.27 25.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.24 49.94 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.83 1.54 18.51 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.189 -0.529 . . . . 0.0 114.1 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -121.69 158.29 54.62 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 117.236 0.518 . . . . 0.0 110.942 -174.379 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.606 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.9 Cg_endo -57.46 139.49 90.32 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.283 2.655 . . . . 0.0 112.934 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' HB2' HG12 ' A' ' 21' ' ' ILE . 49.8 t -93.2 137.35 23.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.612 -174.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -29.55 -51.96 0.18 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.234 4.623 . . . . 0.0 116.768 -177.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 -6.33 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -168.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 p -130.75 100.92 5.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -77.04 50.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.94 44.74 3.52 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.92 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' HD3' ' B' ' 49' ' ' LYS . 42.7 mttm -108.68 -44.06 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.795 0.807 . . . . 0.0 108.829 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.0 2.9 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.5 m -115.28 163.69 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 111.73 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 pt -124.77 165.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD22 HD23 ' A' ' 44' ' ' LEU . 4.7 mp -87.72 162.79 16.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.509 0.671 . . . . 0.0 112.599 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.0 p -105.12 -178.92 3.79 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.356 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.0 97.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.893 0.77 . . . . 0.0 111.586 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.13 -39.23 85.53 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.512 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.59 71.1 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.876 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.597 ' HA ' HD23 ' A' ' 44' ' ' LEU . 14.2 m-30 -69.33 -34.53 74.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.393 0.14 . . . . 0.0 110.807 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.6 m -69.12 -34.75 75.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.214 0.53 . . . . 0.0 110.579 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.89 -16.17 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -83.31 -42.98 16.5 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.169 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.32 -22.6 61.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 110.535 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.79 -43.12 56.43 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.095 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.634 HG22 HG21 ' C' ' 47' ' ' ILE . 20.7 pt -79.61 -29.36 13.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.701 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 75.8 mm-40 -54.0 -58.94 5.45 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 121.24 0.543 . . . . 0.0 109.717 167.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 2.9 ttmp? -76.63 -3.3 37.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.886 -164.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.408 ' CE1' HD21 ' C' ' 36' ' ' LEU . 18.5 m80 -117.77 -1.57 11.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.471 -1.292 . . . . 0.0 113.545 169.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.2 mm? -122.38 -43.77 2.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -122.83 -21.4 5.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -168.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 18.8 mtmt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.189 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.234 0.253 0 CA-C-O 121.451 0.643 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.62 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.178 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.93 147.11 46.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.988 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -62.81 -16.73 59.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.042 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.58 -2.06 52.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -103.55 -19.22 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.399 . . . . 0.0 110.634 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.07 -17.29 13.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.705 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.87 132.29 40.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.479 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.82 140.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.646 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.64 131.95 49.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 110.55 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.807 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.69 164.83 8.71 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.915 -168.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.807 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 63.7 Cg_exo -48.79 -31.84 20.64 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.229 2.619 . . . . 0.0 114.558 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.88 -28.06 0.21 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -168.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 20.4 p -115.33 43.68 1.98 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -169.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.646 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.53 26.59 1.95 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.408 ' H ' ' H ' ' B' ' 18' ' ' ALA . 13.0 ptm180 -148.04 -21.63 0.35 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -163.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -135.49 -32.54 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.631 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.2 20.93 47.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.907 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.0 pt-20 -159.99 165.71 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.631 ' O ' HG22 ' B' ' 24' ' ' THR . 28.9 mm -124.71 111.2 27.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.8 47.58 19.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.0 109.963 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -0.72 24.25 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.072 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.631 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.6 OUTLIER -119.63 158.36 49.59 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 117.165 0.483 . . . . 0.0 110.398 -174.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.623 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.0 Cg_endo -55.56 145.15 71.1 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.962 2.441 . . . . 0.0 112.247 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 48.9 t -97.66 137.85 21.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.2 Cg_exo -30.1 -54.99 0.2 Allowed 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.847 4.365 . . . . 0.0 116.402 -177.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.96 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.52 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 23.9 p -131.21 100.02 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -76.69 52.4 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 112.205 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.85 47.59 3.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.734 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.436 ' HB3' ' HD3' ' C' ' 49' ' ' LYS . 42.6 mttm -112.5 -44.63 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' B' ' 16' ' ' GLU . . . 115.59 -38.8 2.96 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -172.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.8 m -114.65 163.54 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 0.0 111.722 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.3 pt -124.7 166.01 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.001 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.43 HD22 HD23 ' B' ' 44' ' ' LEU . 4.8 mp -87.52 163.34 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.456 0.646 . . . . 0.0 112.432 -174.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 74.6 p -105.25 -177.61 3.41 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.54 98.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.904 0.775 . . . . 0.0 111.43 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.12 -39.22 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.362 . . . . 0.0 110.473 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.6 -29.91 71.16 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.765 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.608 ' HA ' HD23 ' B' ' 44' ' ' LEU . 14.7 m-30 -69.45 -34.14 73.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.377 0.132 . . . . 0.0 110.675 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 42.0 m -69.3 -35.3 75.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 173.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.55 -16.44 36.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.119 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -82.88 -43.12 16.94 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.104 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.49 -22.41 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.337 0.589 . . . . 0.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -74.72 -42.96 57.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.133 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.635 HG21 HG22 ' C' ' 47' ' ' ILE . 20.4 pt -79.73 -29.22 12.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.711 -176.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 75.1 mm-40 -54.12 -59.26 4.89 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.152 0.501 . . . . 0.0 109.778 167.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' B' ' 53' ' ' LYS . 2.9 ttmp? -76.39 -3.68 38.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.844 -164.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.412 ' CE1' HD21 ' A' ' 36' ' ' LEU . 18.2 m80 -117.56 -1.51 11.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.319 -1.352 . . . . 0.0 113.452 170.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -122.47 -45.23 2.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.324 0.511 . . . . 0.0 111.293 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . 0.526 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -120.61 -21.64 6.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.291 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.323 0.582 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 tt -121.31 131.96 71.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.252 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.69 43.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -15.35 62.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.789 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.43 -5.1 57.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -102.87 -17.77 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.717 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.54 -17.37 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.111 0.481 . . . . 0.0 110.629 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -134.58 131.67 38.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.57 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.69 140.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.626 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.18 131.17 46.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.387 0.613 . . . . 0.0 110.415 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.618 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -60.84 167.36 3.56 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.633 -168.399 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.618 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 71.1 Cg_exo -49.82 -35.66 40.27 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.921 2.414 . . . . 0.0 114.114 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -147.86 -28.5 0.34 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -167.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 26.7 p -115.29 44.04 1.91 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.626 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.422 ' H ' ' H ' ' C' ' 18' ' ' ALA . 13.2 ptm180 -148.4 -21.9 0.33 Allowed 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -163.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -135.0 -35.17 0.86 Allowed 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.798 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.24 35.84 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.179 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.0 pt-20 -158.63 168.12 27.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.132 0.492 . . . . 0.0 110.766 -178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.654 ' O ' HG22 ' C' ' 24' ' ' THR . 35.7 mm -126.25 109.97 22.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.19 48.87 12.13 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.336 0.398 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 0.93 15.02 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.998 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.654 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.5 OUTLIER -119.76 157.94 50.97 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 117.297 0.548 . . . . 0.0 110.928 -173.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . 0.57 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 17.7 Cg_endo -56.71 141.06 91.98 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.123 2.549 . . . . 0.0 112.534 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.47 ' HB2' HG12 ' C' ' 21' ' ' ILE . 47.6 t -97.19 138.73 21.23 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -174.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.464 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 43.5 Cg_exo -28.71 -56.11 0.14 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.333 4.689 . . . . 0.0 116.264 -177.215 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.17 -5.09 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 0.0 111.97 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.645 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 32.0 p -130.39 97.91 4.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -76.9 50.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.84 46.85 3.3 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.674 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -110.99 -43.51 3.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 108.964 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.7 -38.65 3.06 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.1 m -116.24 164.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.651 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.444 HG23 ' SG ' ' C' ' 12' ' ' CYS . 16.9 pt -124.79 166.69 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.091 173.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.428 HD22 HD23 ' C' ' 44' ' ' LEU . 4.7 mp -87.7 163.88 16.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.448 0.642 . . . . 0.0 112.597 -174.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 62.3 p -105.73 -177.98 3.52 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.29 99.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 119.035 0.834 . . . . 0.0 111.364 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.499 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.02 -29.62 72.34 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.884 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.599 ' HA ' HD23 ' C' ' 44' ' ' LEU . 14.5 m-30 -69.58 -34.61 74.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.006 -0.114 . . . . 0.0 110.743 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 40.7 m -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.156 0.503 . . . . 0.0 110.616 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.95 -16.49 35.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.216 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.7 OUTLIER -83.18 -42.68 17.02 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.068 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.4 -22.65 61.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.538 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -74.7 -43.22 56.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.635 HG22 HG21 ' B' ' 47' ' ' ILE . 20.3 pt -79.66 -29.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.772 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 76.5 mm-40 -53.67 -60.2 3.63 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 167.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.493 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.3 ttmp? -76.91 -2.39 33.34 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.0 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.417 ' CE1' HD21 ' B' ' 36' ' ' LEU . 18.1 m80 -117.49 -1.67 11.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.336 -1.346 . . . . 0.0 113.534 169.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.2 mm? -122.12 -43.95 2.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.377 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . 0.478 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -121.43 -23.03 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.663 -168.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 23.6 mtmt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.98 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 121.905 0.859 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.95 134.26 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.811 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.34 151.23 49.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.004 0.431 . . . . 0.0 110.042 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -67.73 -9.8 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -174.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.47 -11.32 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.264 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -104.89 -6.65 19.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.405 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 6.7 mp -118.18 -19.57 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -140.21 137.79 34.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.408 173.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.0 148.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.71 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.13 132.74 51.34 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.741 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.778 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 29.3 t -66.88 161.22 63.84 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 123.777 0.831 . . . . 0.0 112.01 -169.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.778 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 21.0 Cg_exo -32.37 -44.5 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 123.687 2.925 . . . . 0.0 114.767 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.25 1.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -173.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 12.6 p -117.06 41.27 2.79 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 115.058 -2.657 . . . . 0.0 113.823 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.71 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.52 26.51 1.45 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -149.43 -26.78 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.5 -42.04 2.24 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.79 16.43 39.12 Favored Glycine 0 C--O 1.226 -0.369 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.184 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -158.48 164.85 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.51 ' O ' ' HB ' ' A' ' 24' ' ' THR . 37.2 mt -142.66 121.05 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 58.33 43.4 20.07 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.933 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.04 15.27 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.806 0.67 . . . . 0.0 112.31 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -121.6 146.3 45.05 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 114.129 -1.036 . . . . 0.0 110.509 -170.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.76 128.88 29.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.651 2.234 . . . . 0.0 111.888 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.06 135.38 44.9 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.636 -167.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -30.67 -57.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.154 1 C-N-CA 126.01 4.474 . . . . 0.0 116.085 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.32 -9.39 9.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -165.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 24.4 p -131.05 94.4 3.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.557 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -71.89 55.43 0.28 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.16 5.37 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.512 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HD2' ' HG3' ' B' ' 49' ' ' LYS . 16.6 mtmt -112.73 -43.18 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.486 0.66 . . . . 0.0 109.447 -177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 121.1 -38.48 2.67 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.307 -178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -116.22 164.81 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 pt -128.17 161.52 36.35 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.869 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.9 165.33 15.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -170.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 60.9 p -106.82 178.97 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.631 173.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.75 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.458 0.572 . . . . 0.0 111.8 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.05 -43.52 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.696 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.23 -31.75 78.19 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.001 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.9 m-85 -69.6 -32.22 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.131 0.172 . . . . 0.0 111.193 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.7 m -71.45 -31.25 66.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.489 0.662 . . . . 0.0 109.95 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.83 -20.09 28.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.677 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -80.57 -43.88 19.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.837 -178.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.84 -22.75 61.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -74.17 -42.35 60.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.915 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.646 HG22 HG21 ' C' ' 47' ' ' ILE . 20.5 pt -79.18 -26.82 13.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 119.709 -0.797 . . . . 0.0 110.49 -177.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.2 mm-40 -55.34 -60.61 3.17 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.27 0.557 . . . . 0.0 109.706 167.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.564 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 15.4 ttpp -78.59 3.09 17.16 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.754 -165.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' NE2' HD21 ' C' ' 36' ' ' LEU . 59.4 m80 -117.16 -2.92 11.57 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 118.244 -1.382 . . . . 0.0 114.144 163.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.3 mm? -123.88 -43.58 2.11 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.779 0.718 . . . . 0.0 111.637 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.467 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.6 OUTLIER -119.89 -20.28 7.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.226 -168.01 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.5 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.715 175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.234 0.25 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.6 134.28 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.856 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.2 149.65 49.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.071 0.462 . . . . 0.0 109.814 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -67.18 -10.26 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.52 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 -10.36 59.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.223 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -104.97 -8.54 18.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.896 0.379 . . . . 0.0 111.026 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.95 -19.65 10.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.937 0.399 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -140.34 139.51 35.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.172 173.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -131.05 148.8 33.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.738 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.22 130.67 44.79 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.854 0.359 . . . . 0.0 110.64 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.87 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 47.0 t -65.41 159.92 63.12 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.239 1.015 . . . . 0.0 111.803 -169.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.87 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 18.3 Cg_exo -31.09 -44.56 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.18 3.253 . . . . 0.0 114.93 175.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 -2.07 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 31.4 p -116.67 39.25 3.22 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 117.159 -1.816 . . . . 0.0 113.056 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.738 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.37 25.77 1.84 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.652 0.739 . . . . 0.0 109.154 -179.014 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -148.81 -22.77 0.31 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -166.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.82 -43.97 1.67 Allowed 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.392 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.06 17.59 34.36 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.262 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -159.58 164.12 34.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.821 0.31 . . . . 0.0 110.402 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.555 ' O ' ' HB ' ' B' ' 24' ' ' THR . 47.0 mt -142.79 117.95 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.817 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.46 44.91 14.29 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.745 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.91 22.17 11.73 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-O 122.168 0.871 . . . . 0.0 112.813 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.0 OUTLIER -125.83 145.09 50.56 Favored Pre-proline 0 C--N 1.298 -1.67 0 CA-C-N 114.023 -1.089 . . . . 0.0 110.053 -170.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.28 126.62 22.03 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.665 2.243 . . . . 0.0 111.681 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.42 ' SG ' HD12 ' B' ' 21' ' ' ILE . 42.4 t -80.46 135.26 53.59 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.703 -169.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -30.51 -58.68 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 125.95 4.433 . . . . 0.0 116.633 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.56 -11.62 9.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.271 0.558 . . . . 0.0 111.997 -165.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 22.2 p -130.08 93.49 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -71.57 54.63 0.23 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.62 5.27 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.409 ' HD2' ' HG3' ' C' ' 49' ' ' LYS . 15.8 mtmt -113.65 -42.21 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' B' ' 16' ' ' GLU . . . 121.7 -38.96 2.47 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.375 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.64 163.62 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.9 pt -126.94 161.57 33.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.452 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.552 HD21 ' NE2' ' C' ' 50' ' ' HIS . 4.5 mp -87.75 166.07 14.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -171.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.427 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.7 p -106.68 -179.87 4.06 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.481 172.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -45.81 92.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.634 0.652 . . . . 0.0 111.36 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.24 -41.49 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.799 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.44 87.93 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.001 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.614 ' HA ' HD23 ' B' ' 44' ' ' LEU . 5.4 m-85 -69.85 -32.96 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.453 0.168 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 20.3 m -69.76 -31.65 69.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.438 0.637 . . . . 0.0 110.568 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -87.06 -17.03 33.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.333 -176.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -83.47 -44.61 14.55 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.895 -177.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.06 -22.24 61.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.344 0.592 . . . . 0.0 109.935 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -74.56 -41.61 60.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.099 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.641 HG21 HG22 ' C' ' 47' ' ' ILE . 19.5 pt -79.45 -26.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.534 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -55.65 -60.11 3.9 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.303 0.573 . . . . 0.0 109.692 167.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.574 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 14.0 ttpp -79.22 2.93 19.41 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.104 -165.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.536 ' NE2' HD21 ' A' ' 36' ' ' LEU . 54.6 m80 -117.22 -2.31 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 118.156 -1.418 . . . . 0.0 114.285 163.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -123.46 -43.28 2.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.968 0.804 . . . . 0.0 111.741 176.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.22 -21.67 7.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.043 -168.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.574 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.2 mtmt . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.634 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.737 0.779 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -111.74 134.4 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.906 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.74 148.35 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.469 . . . . 0.0 110.134 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.31 -12.06 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.856 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.2 -10.27 59.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.251 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -105.4 -6.55 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.22 -19.89 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -140.49 138.05 34.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.077 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.39 148.35 33.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -175.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.673 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.52 131.07 46.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.085 0.469 . . . . 0.0 110.641 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.929 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 25.5 t -64.82 161.15 48.55 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 124.022 0.929 . . . . 0.0 112.056 -169.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.929 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 15.6 Cg_exo -32.09 -43.81 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.946 3.097 . . . . 0.0 115.152 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.19 -4.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 29.4 p -115.91 39.74 2.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 117.652 -1.619 . . . . 0.0 112.984 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.673 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -89.11 24.4 2.14 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -148.48 -21.3 0.33 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -166.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.0 -43.47 1.5 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -168.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.37 15.84 42.57 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.429 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -158.71 163.38 36.87 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.359 -0.495 . . . . 0.0 109.922 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.54 ' O ' ' HB ' ' C' ' 24' ' ' THR . 51.9 mt -142.59 119.03 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.18 44.75 15.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.795 1.309 . . . . 0.0 110.805 -170.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.89 16.82 8.28 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 121.836 0.687 . . . . 0.0 112.703 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.75 146.16 45.03 Favored Pre-proline 0 C--N 1.299 -1.591 0 CA-C-N 114.335 -0.933 . . . . 0.0 110.524 -170.384 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.97 125.92 20.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.962 2.441 . . . . 0.0 112.007 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.426 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 40.6 t -79.86 136.11 55.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.858 -169.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -31.61 -57.28 0.24 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 125.898 4.399 . . . . 0.0 116.464 -176.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.35 -10.0 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 112.317 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 26.6 p -130.7 94.78 3.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -71.29 53.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.61 5.27 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.395 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.407 ' HD2' ' HG3' ' A' ' 49' ' ' LYS . 16.0 mtmt -113.19 -40.92 3.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.671 . . . . 0.0 109.393 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' C' ' 16' ' ' GLU . . . 120.19 -38.9 2.6 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.338 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.57 164.12 13.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -127.54 161.07 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.732 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.557 HD21 ' NE2' ' A' ' 50' ' ' HIS . 4.5 mp -88.23 165.14 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -170.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . 0.435 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 71.0 p -106.16 179.58 4.23 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.545 173.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.85 95.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.842 0.746 . . . . 0.0 111.348 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.49 -41.43 94.25 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.3 -33.75 83.39 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.834 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.62 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -69.71 -33.59 72.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.893 -0.181 . . . . 0.0 111.153 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -69.49 -31.17 69.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.357 0.598 . . . . 0.0 110.579 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -87.25 -17.01 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -83.62 -44.69 14.3 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.797 -177.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.96 -21.48 61.59 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.289 0.566 . . . . 0.0 110.059 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -74.39 -42.4 59.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.954 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.646 HG21 HG22 ' A' ' 47' ' ' ILE . 19.4 pt -79.27 -26.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.676 -0.809 . . . . 0.0 110.534 -177.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.54 -60.19 3.78 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.206 0.527 . . . . 0.0 109.595 167.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.573 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 14.1 ttpp -78.99 2.75 19.32 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.021 -0.991 . . . . 0.0 112.837 -166.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.552 ' NE2' HD21 ' B' ' 36' ' ' LEU . 58.9 m80 -117.11 -2.58 11.66 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 118.267 -1.373 . . . . 0.0 114.212 163.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.407 HD21 HG13 ' B' ' 47' ' ' ILE . 3.3 mm? -124.25 -42.49 2.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.836 0.744 . . . . 0.0 111.894 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . 0.462 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -121.64 -19.23 6.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.163 -167.649 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.573 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.575 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 121.525 0.678 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.47 137.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.598 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.54 160.73 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.242 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -16.34 60.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.023 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.34 -8.17 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.752 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -103.83 3.69 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.488 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -124.93 -34.32 2.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.224 0.535 . . . . 0.0 110.493 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE2' ' NE2' ' B' ' 50' ' ' HIS . 72.2 mt-10 -134.74 143.47 47.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.793 -177.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.88 140.66 48.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.86 135.32 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.193 0.521 . . . . 0.0 110.59 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -63.11 169.26 3.76 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.277 -170.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.6 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 95.5 Cg_exo -53.05 -33.07 61.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.805 2.337 . . . . 0.0 114.246 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 7.0 tmtm? -150.83 -30.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -165.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 23.4 p -116.33 42.67 2.35 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.814 -1.178 . . . . 0.0 114.103 -168.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.86 27.24 1.85 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.203 0.525 . . . . 0.0 109.955 -175.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' H ' ' H ' ' A' ' 18' ' ' ALA . 11.6 ptp180 -148.57 -25.09 0.32 Allowed 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -167.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -126.81 -31.94 2.62 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.101 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.41 41.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.057 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 15' ' ' CYS . 4.1 pt-20 -151.15 159.81 44.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.011 0.406 . . . . 0.0 111.447 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.626 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.1 mm -130.2 109.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.52 45.26 10.86 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.172 0.295 . . . . 0.0 111.213 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.49 7.86 11.88 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.563 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -119.32 145.53 38.79 Favored Pre-proline 0 C--N 1.305 -1.351 0 C-N-CA 123.426 0.69 . . . . 0.0 110.168 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -54.85 132.97 55.11 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.089 2.526 . . . . 0.0 111.986 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 52.5 t -84.48 136.94 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.1 Cg_exo -29.13 -52.82 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.111 1 C-N-CA 126.182 4.588 . . . . 0.0 116.021 -177.071 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.15 -6.41 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 111.871 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.662 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 30.3 p -132.66 88.79 2.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.233 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -76.61 60.17 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.96 0.409 . . . . 0.0 111.533 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.88 46.05 2.98 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.838 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mppt? -126.2 -36.35 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 109.76 -39.2 2.99 Favored Glycine 0 N--CA 1.434 -1.456 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.18 164.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.028 0.442 . . . . 0.0 111.777 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.1 pt -127.55 162.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.468 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 44' ' ' LEU . 3.0 mp -87.93 157.15 19.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.714 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -107.26 176.15 5.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.562 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.52 70.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG2' HG22 ' C' ' 3' ' ' ILE . 0.8 OUTLIER -54.33 -52.79 60.43 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.81 -27.87 73.13 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.856 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.512 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.0 m-85 -68.82 -34.19 75.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.532 -0.393 . . . . 0.0 110.908 176.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -70.32 -31.53 68.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.443 0.64 . . . . 0.0 110.493 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.9 mp -86.06 -23.11 26.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.094 -174.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD23 HD22 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.73 -40.39 41.33 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.125 -179.317 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.052 0.453 . . . . 0.0 110.49 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.483 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.2 t80 -75.16 -39.0 60.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 175.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.669 HG22 HG21 ' C' ' 47' ' ' ILE . 29.2 pt -78.0 -33.76 18.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.813 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -51.79 -62.21 1.77 Allowed 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.397 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.0 ttmt -77.79 -3.38 41.12 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.831 -161.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.665 ' O ' HD23 ' A' ' 51' ' ' LEU . 90.4 m-70 -117.25 -2.55 11.6 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 117.383 -1.727 . . . . 0.0 113.956 169.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -126.75 -46.76 1.56 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.561 0.619 . . . . 0.0 112.137 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -106.56 -25.25 11.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 14.1 mtmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.257 -0.877 . . . . 0.0 109.795 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.15 137.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.593 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.82 159.41 25.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.859 0.361 . . . . 0.0 110.254 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -63.23 -16.2 59.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.975 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.08 -8.7 59.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -103.34 1.77 33.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.613 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -122.38 -33.7 3.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.321 0.581 . . . . 0.0 110.628 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -134.61 145.87 49.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.749 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.18 141.14 46.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.6 135.99 56.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.716 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -61.33 167.2 4.27 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.644 -171.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.716 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 82.6 Cg_exo -51.64 -31.67 41.55 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.592 2.194 . . . . 0.0 114.342 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.455 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 7.0 tmtm? -151.2 -30.42 0.18 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -164.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 15.5 p -117.34 43.39 2.35 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -168.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.51 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.07 27.32 1.89 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 109.894 -176.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' B' ' 18' ' ' ALA . 11.3 ptp180 -148.93 -24.09 0.31 Allowed 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -166.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -128.57 -32.84 2.13 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.965 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.72 23.12 43.66 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.434 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 5.9 pt-20 -149.36 159.61 44.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.109 0.455 . . . . 0.0 111.135 -175.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.572 ' O ' ' HB ' ' B' ' 24' ' ' THR . 29.8 mm -130.42 109.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.11 46.01 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.354 0.409 . . . . 0.0 110.998 -177.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.57 8.9 10.56 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.733 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -119.94 145.37 39.54 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 114.75 -0.725 . . . . 0.0 110.202 -170.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.33 133.36 55.64 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.155 2.57 . . . . 0.0 111.725 -176.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.1 t -84.65 137.48 38.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.3 Cg_exo -29.25 -52.41 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 126.103 4.535 . . . . 0.0 115.942 -177.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.82 -3.79 4.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.906 0.384 . . . . 0.0 111.967 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 18.0 p -133.25 90.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.054 0.454 . . . . 0.0 109.888 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -77.35 57.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.417 . . . . 0.0 111.28 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 49.92 2.19 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.909 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -127.89 -36.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.22 -39.24 2.97 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -114.94 164.87 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 111.837 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.02 162.5 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.453 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.542 HD22 HD23 ' B' ' 44' ' ' LEU . 2.9 mp -87.79 157.65 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.89 176.6 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.505 170.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.97 69.5 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -52.3 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.41 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -66.05 -28.07 73.38 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.907 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.516 ' HA ' HD23 ' B' ' 44' ' ' LEU . 13.4 m-85 -68.59 -33.99 75.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.37 -0.488 . . . . 0.0 111.023 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -70.43 -31.77 69.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.355 0.597 . . . . 0.0 110.554 174.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.547 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.0 mp -86.14 -23.04 26.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.542 HD23 HD22 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -77.74 -40.83 39.73 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.138 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.94 -24.04 62.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 64.8 t80 -75.21 -39.62 59.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 175.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.678 HG21 HG22 ' C' ' 47' ' ' ILE . 28.6 pt -77.91 -34.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.666 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -50.91 -62.1 1.81 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.503 0.668 . . . . 0.0 109.52 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.9 ttmt -77.48 -4.37 45.18 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.944 -162.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.672 ' O ' HD23 ' B' ' 51' ' ' LEU . 91.5 m-70 -116.6 -2.71 11.89 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.499 -1.68 . . . . 0.0 113.853 170.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.672 HD23 ' O ' ' B' ' 50' ' ' HIS . 12.6 mt -127.29 -45.77 1.52 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.605 0.639 . . . . 0.0 112.208 174.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.55 -25.21 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.8 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.383 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.581 0.705 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.401 HG22 ' HG2' ' A' ' 39' ' ' GLN . 16.6 tt -149.02 137.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.527 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.0 159.41 24.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -64.97 -14.85 61.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.669 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.69 -7.86 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.816 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.96 3.72 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.716 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.26 -33.41 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.35 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -135.68 144.31 45.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.005 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.89 140.89 47.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.64 135.08 55.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.721 0.295 . . . . 0.0 110.865 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.717 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.4 OUTLIER -59.12 167.58 2.0 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.879 0.872 . . . . 0.0 112.917 -172.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.717 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 89.4 Cg_exo -52.64 -32.33 53.98 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.792 2.328 . . . . 0.0 114.089 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . 0.439 ' HD2' HD13 ' C' ' 21' ' ' ILE . 6.6 tmtm? -149.14 -33.14 0.21 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -165.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 23.2 p -116.53 44.78 1.94 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -167.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.549 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.4 26.33 2.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.26 0.553 . . . . 0.0 110.01 -176.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.439 ' H ' ' H ' ' C' ' 18' ' ' ALA . 11.7 ptp180 -148.06 -21.98 0.35 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -165.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.439 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -130.64 -32.39 1.7 Allowed 'General case' 0 C--N 1.343 0.283 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.108 -176.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.3 20.9 50.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.447 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 4.0 pt-20 -147.36 158.46 43.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.215 0.507 . . . . 0.0 111.148 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.629 ' O ' ' HB ' ' C' ' 24' ' ' THR . 29.2 mm -129.81 110.0 18.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.62 46.15 15.03 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.145 0.278 . . . . 0.0 110.864 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.85 9.54 10.63 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.807 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -119.64 145.22 38.64 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.661 -0.77 . . . . 0.0 110.094 -170.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.62 132.34 50.88 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.774 2.316 . . . . 0.0 111.658 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.9 t -82.72 138.14 43.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 51.6 Cg_exo -30.01 -53.46 0.2 Allowed 'Trans proline' 0 C--N 1.358 1.078 1 C-N-CA 125.959 4.439 . . . . 0.0 115.907 -178.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.64 -2.94 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -169.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 16.8 p -133.7 91.05 2.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.985 0.421 . . . . 0.0 109.918 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -76.79 58.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.66 47.44 2.73 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.947 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -125.8 -37.08 2.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 110.9 -39.32 2.94 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' C' ' 11' ' ' ALA . 34.0 m -114.37 164.63 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.063 0.459 . . . . 0.0 111.723 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 18.0 pt -128.09 162.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.456 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.539 HD22 HD23 ' C' ' 44' ' ' LEU . 2.9 mp -87.71 157.36 19.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.699 0.761 . . . . 0.0 112.918 -172.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -108.05 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.493 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.76 -44.9 70.38 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.24 -52.61 60.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . 0.423 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -66.0 -27.87 73.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.975 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.515 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.1 m-85 -68.71 -33.91 74.74 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.433 -0.451 . . . . 0.0 110.863 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 11.8 m -70.32 -31.88 69.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.512 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.559 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.9 mp -86.01 -23.01 27.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.18 -174.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.539 HD23 HD22 ' C' ' 36' ' ' LEU . 1.0 OUTLIER -77.91 -40.49 39.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.076 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.07 -24.24 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.463 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 64.5 t80 -75.25 -38.98 60.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.717 175.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.678 HG22 HG21 ' B' ' 47' ' ' ILE . 28.9 pt -78.18 -34.05 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.771 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -51.13 -62.36 1.66 Allowed 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.331 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.513 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 30.4 ttmt -77.13 -4.81 46.4 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.658 -161.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.694 ' O ' HD23 ' C' ' 51' ' ' LEU . 93.6 m-70 -116.55 -2.82 11.9 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 117.547 -1.661 . . . . 0.0 114.009 171.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.694 HD23 ' O ' ' C' ' 50' ' ' HIS . 12.2 mt -127.19 -45.72 1.53 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.552 0.615 . . . . 0.0 112.332 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.77 -24.2 11.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.0 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.104 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.65 0.738 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -148.04 142.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.526 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.29 161.46 21.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.875 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -65.66 -15.02 62.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.077 0.465 . . . . 0.0 110.837 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.02 -5.27 58.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -102.12 -5.37 24.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.92 -26.33 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.083 0.468 . . . . 0.0 110.561 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -137.69 146.43 43.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -128.67 139.33 52.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.298 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.86 133.95 54.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.89 0.376 . . . . 0.0 110.778 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.82 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 11.2 t -64.85 157.08 77.08 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 45.5 Cg_exo -38.82 -35.3 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.611 2.874 . . . . 0.0 114.851 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -146.55 -29.77 0.38 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -167.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.9 p -119.33 46.91 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -167.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.08 24.74 2.71 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -173.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.81 -17.98 0.31 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.27 -42.08 2.93 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.647 -171.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.16 10.09 57.58 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.072 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 5.5 pt-20 -151.06 164.43 36.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 110.352 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 24' ' ' THR . 19.9 mt -143.62 124.27 9.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 173.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.55 45.75 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.574 0.546 . . . . 0.0 110.473 -172.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 59.46 8.28 6.85 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.14 -0.552 . . . . 0.0 114.183 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -119.81 153.76 54.84 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 117.694 0.747 . . . . 0.0 111.393 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 17.3 Cg_endo -54.32 122.83 12.2 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.21 2.607 . . . . 0.0 111.18 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 47.1 t -75.82 140.71 71.08 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.468 -168.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.2 Cg_exo -26.23 -52.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 1 C-N-CA 126.327 4.685 . . . . 0.0 116.691 -177.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.75 -3.5 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.319 0.58 . . . . 0.0 112.147 -169.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 31.8 p -131.57 89.75 2.75 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -73.08 54.04 0.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.13 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.466 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 91.75 50.58 2.67 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.314 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -126.53 -38.96 2.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.32 2.8 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.4 163.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.224 0.535 . . . . 0.0 112.273 -175.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 pt -125.44 157.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.214 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD22 HD23 ' A' ' 44' ' ' LEU . 4.5 mp -88.38 159.27 18.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.441 0.639 . . . . 0.0 112.502 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.32 176.08 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.226 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.21 63.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -175.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -58.37 -47.07 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 111.215 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.1 -27.58 73.5 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.779 -0.725 . . . . 0.0 111.718 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.537 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.8 m-85 -70.43 -33.01 70.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.939 -0.154 . . . . 0.0 111.358 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -70.25 -33.86 72.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.366 0.603 . . . . 0.0 110.628 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.23 -16.14 38.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.73 -175.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.64 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.45 -41.58 16.47 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.551 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.91 -24.97 63.46 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.198 0.523 . . . . 0.0 110.514 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.07 -41.08 59.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.162 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.622 HG22 HG21 ' C' ' 47' ' ' ILE . 22.7 pt -80.46 -28.85 11.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.683 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 80.7 mm-40 -56.56 -59.03 5.58 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 121.261 0.553 . . . . 0.0 110.047 168.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 12.5 ttpt -77.42 0.9 20.78 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.542 -166.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -117.94 -1.44 11.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.401 -1.32 . . . . 0.0 113.797 165.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 47' ' ' ILE . 3.4 mm? -125.56 -37.5 2.34 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.394 0.543 . . . . 0.0 112.396 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.5 OUTLIER -128.08 -20.4 3.79 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -168.076 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.6 mtmt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.253 -0.88 . . . . 0.0 109.174 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.705 0.764 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -147.32 141.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.6 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.33 22.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.704 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -64.85 -13.86 57.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.233 0.54 . . . . 0.0 110.968 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.18 -5.87 58.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.807 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -102.71 -4.86 24.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.944 0.402 . . . . 0.0 110.938 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.22 -26.58 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.696 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -137.53 146.0 43.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.993 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.04 139.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.196 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.21 135.02 55.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.861 0.362 . . . . 0.0 110.779 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.842 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 t -66.72 155.64 88.8 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.842 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.0 Cg_exo -36.85 -35.82 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.725 2.95 . . . . 0.0 115.156 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -146.77 -29.46 0.38 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 14.2 p -118.18 46.96 1.68 Allowed 'General case' 0 C--O 1.243 0.721 0 O-C-N 120.683 -1.26 . . . . 0.0 114.387 -169.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.607 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.98 24.36 2.46 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.828 0.346 . . . . 0.0 110.766 -174.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.406 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.34 -21.26 0.33 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -114.89 -40.51 3.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.384 -171.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.424 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 93.3 11.61 58.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.112 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.7 pt-20 -150.71 165.09 34.51 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 120.999 0.428 . . . . 0.0 110.172 -175.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.533 ' O ' HG22 ' B' ' 24' ' ' THR . 24.6 mt -145.37 123.45 4.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 46.42 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.735 0.647 . . . . 0.0 110.773 -171.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.32 12.9 6.48 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.137 0.415 . . . . 0.0 114.137 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.5 OUTLIER -122.88 152.53 62.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.23 0.515 . . . . 0.0 111.465 -173.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.439 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 17.1 Cg_endo -54.7 118.71 5.4 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.21 2.607 . . . . 0.0 111.444 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 45.2 t -73.54 140.77 79.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.573 -169.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.519 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.6 Cg_exo -25.1 -57.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.079 1 C-N-CA 126.387 4.725 . . . . 0.0 116.321 -177.041 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.42 -4.31 5.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.152 0.501 . . . . 0.0 111.739 -168.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 29.4 p -130.96 89.93 2.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -73.35 55.64 0.47 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.104 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.424 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 92.18 46.71 3.51 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.71 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -123.91 -37.94 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 114.44 -39.24 2.87 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.03 163.07 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 112.171 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.9 157.25 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.262 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.507 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -88.42 159.73 17.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 112.65 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -106.62 175.44 5.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.352 172.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.74 63.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -174.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -58.81 -46.39 87.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.319 . . . . 0.0 111.408 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.56 73.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.481 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.551 ' HA ' HD23 ' B' ' 44' ' ' LEU . 7.3 m-85 -70.23 -33.69 71.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.039 -0.094 . . . . 0.0 111.157 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -69.98 -33.59 72.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.392 0.615 . . . . 0.0 110.643 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.35 -16.66 36.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.601 -175.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -84.16 -41.9 16.55 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.413 -179.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.93 -24.67 63.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.145 0.497 . . . . 0.0 110.514 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -75.31 -41.09 57.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.604 HG21 HG22 ' C' ' 47' ' ' ILE . 22.8 pt -80.38 -28.84 12.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.615 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.9 mm-40 -56.49 -58.99 5.65 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.333 0.587 . . . . 0.0 110.038 168.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 12.1 ttpt -77.64 0.95 21.29 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.593 -166.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -117.82 -1.41 11.55 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.347 -1.341 . . . . 0.0 113.854 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.4 mm? -125.18 -37.28 2.42 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.398 0.545 . . . . 0.0 112.286 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -128.97 -20.01 3.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -167.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.542 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.2 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.466 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 121.672 0.749 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -145.89 141.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.578 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.89 161.01 22.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.636 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -64.89 -14.2 58.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 110.825 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.93 -6.52 59.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -101.36 -5.43 25.39 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.781 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.22 -26.25 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 110.66 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -137.71 146.81 44.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.959 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -128.73 139.45 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.317 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.568 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.81 134.15 54.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.91 0.386 . . . . 0.0 110.755 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.864 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 6.2 t -66.29 157.18 82.77 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -169.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.864 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -37.84 -38.3 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.648 2.899 . . . . 0.0 114.635 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -144.45 -29.82 0.47 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -166.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 9.3 p -117.51 46.85 1.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.568 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 24.76 2.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.758 0.313 . . . . 0.0 111.087 -175.251 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.45 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -148.42 -22.37 0.33 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -174.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.45 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -113.69 -39.19 4.09 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.908 -171.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.17 12.89 61.11 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.586 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.76 162.87 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.57 HD12 ' SG ' ' C' ' 26' ' ' CYS . 24.5 mt -145.94 125.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.84 43.87 30.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.677 0.611 . . . . 0.0 110.822 -172.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.98 7.68 7.06 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.116 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.51 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.6 OUTLIER -119.89 152.94 54.61 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 117.339 0.569 . . . . 0.0 110.854 -175.042 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 16.0 Cg_endo -54.56 123.49 13.79 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.225 2.617 . . . . 0.0 111.385 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.621 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 46.5 t -78.37 140.64 60.69 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.7 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.621 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 67.6 Cg_exo -25.82 -54.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 126.534 4.822 . . . . 0.0 116.647 -175.466 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.03 -4.3 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.903 -168.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.601 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 22.2 p -130.91 90.55 2.91 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -74.19 54.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 112.124 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 92.83 46.97 3.27 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.569 174.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -124.09 -38.76 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.93 -39.06 2.9 Favored Glycine 0 N--CA 1.435 -1.417 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.63 163.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 0.0 112.183 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.84 157.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.364 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.51 HD22 HD23 ' C' ' 44' ' ' LEU . 4.6 mp -88.57 158.71 18.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.591 0.71 . . . . 0.0 112.67 -170.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.4 174.91 5.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.182 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.93 62.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -58.51 -46.41 86.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.369 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.11 -27.58 73.65 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.594 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.543 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.1 m-85 -70.37 -32.6 70.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.883 -0.187 . . . . 0.0 111.279 175.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 10.4 m -70.48 -33.84 71.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.377 0.608 . . . . 0.0 110.703 172.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.26 -16.6 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.496 -179.372 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.0 -25.27 63.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.108 0.48 . . . . 0.0 110.548 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.99 -40.79 60.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.12 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.622 HG21 HG22 ' A' ' 47' ' ' ILE . 23.6 pt -80.55 -29.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.661 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.8 mm-40 -56.43 -59.21 5.3 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.356 0.598 . . . . 0.0 109.996 168.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 12.1 ttpt -77.44 1.01 20.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.357 -167.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -118.02 -1.47 11.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 118.388 -1.325 . . . . 0.0 113.975 165.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.448 HD23 ' O ' ' C' ' 47' ' ' ILE . 3.4 mm? -125.43 -36.85 2.42 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.358 0.526 . . . . 0.0 112.366 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . 0.432 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -128.83 -20.54 3.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -167.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.549 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 12.9 mtmt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.057 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.491 0.663 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 8' ' ' LEU . 18.9 tt -128.7 135.5 62.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.262 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 155.8 37.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.149 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -65.41 -9.04 21.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.901 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.36 -13.41 59.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.43 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -105.18 3.65 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 75.3 mt -119.32 -29.61 5.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.994 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -143.2 145.79 33.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.933 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.55 146.45 31.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.705 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.647 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.64 135.84 56.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.215 0.531 . . . . 0.0 111.464 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.595 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -64.57 172.59 2.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -170.701 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 39.3 Cg_exo -41.3 -46.7 5.6 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 123.621 2.881 . . . . 0.0 113.74 170.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.2 0.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 -174.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.656 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 11.4 p -114.67 37.75 3.33 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 117.893 -1.523 . . . . 0.0 114.229 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.647 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.35 22.23 3.48 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.186 0.517 . . . . 0.0 110.214 -178.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 -11.3 0.42 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.01 -33.81 1.13 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.667 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 82.48 23.15 57.18 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.972 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -146.17 163.4 35.5 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.59 0.71 . . . . 0.0 110.799 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' A' ' 24' ' ' THR . 34.1 mm -128.62 108.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 171.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 60.28 47.4 9.15 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.228 0.33 . . . . 0.0 111.085 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.45 9.21 29.83 Favored Glycine 0 N--CA 1.468 0.805 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.665 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -123.29 145.58 46.88 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.378 -0.911 . . . . 0.0 110.52 -169.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.14 131.54 43.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.906 2.404 . . . . 0.0 112.154 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.6 t -81.41 135.0 50.57 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -171.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -32.64 -58.75 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.892 4.395 . . . . 0.0 116.059 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.86 -11.39 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.412 -167.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 17.9 p -129.41 90.98 3.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 m -74.39 54.15 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.958 -0.464 . . . . 0.0 112.11 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 94.43 46.86 2.91 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.75 176.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -117.05 -42.23 2.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.79 -38.28 3.3 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 11' ' ' ALA . 31.1 m -117.24 165.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.888 0.375 . . . . 0.0 111.545 -176.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.595 HG23 ' SG ' ' A' ' 12' ' ' CYS . 3.3 pt -124.28 160.38 28.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.953 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 HD23 ' A' ' 44' ' ' LEU . 4.0 mp -86.28 167.72 14.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 113.137 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.0 p -104.44 179.98 4.11 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.115 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.04 99.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.462 0.574 . . . . 0.0 110.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.34 -42.43 98.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.504 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.43 69.84 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.595 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.622 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.1 m-85 -69.65 -33.78 73.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.6 m -69.3 -32.06 70.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.537 0.684 . . . . 0.0 109.693 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.73 -22.06 26.23 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -80.61 -44.16 19.38 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.313 -177.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.71 -23.51 60.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.75 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' C' ' 8' ' ' LEU . 66.1 t80 -75.14 -38.81 60.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.358 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.585 HG21 HG22 ' B' ' 47' ' ' ILE . 20.3 pt -79.29 -29.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.353 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 58.7 mm-40 -56.4 -56.99 14.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.982 169.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 24.1 ttmm -78.34 1.08 23.06 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -167.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.414 ' NE2' HD21 ' C' ' 36' ' ' LEU . 69.8 m80 -116.56 -1.95 12.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 118.224 -1.39 . . . . 0.0 114.232 167.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.433 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -120.45 -39.67 2.75 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.442 0.639 . . . . 0.0 111.114 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -29.86 3.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.46 -166.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.557 ' HE2' ' HB3' ' A' ' 48' ' ' GLN . 7.2 mtmm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.964 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.796 0.808 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.41 HD11 HD11 ' B' ' 8' ' ' LEU . 18.7 tt -127.47 135.4 63.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.382 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.63 156.46 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.116 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.4 -7.3 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.928 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.52 -14.19 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.24 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -105.16 3.99 30.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.5 . . . . 0.0 110.188 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.41 HD11 HD11 ' B' ' 3' ' ' ILE . 75.3 mt -120.35 -30.15 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -143.18 145.26 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.918 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.31 146.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.612 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.11 135.93 56.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.242 0.544 . . . . 0.0 111.536 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.614 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.8 OUTLIER -63.39 173.09 1.31 Allowed Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -170.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -41.15 -48.04 5.06 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 113.451 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 -0.03 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.7 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -113.75 38.65 2.89 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.167 -1.413 . . . . 0.0 114.303 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.612 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.82 22.65 3.48 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.432 -179.065 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -8.33 0.48 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.78 -35.48 0.87 Allowed 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.344 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.02 59.18 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.218 -0.992 . . . . 0.0 113.073 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -143.13 164.32 30.47 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.426 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.2 mm -129.61 109.52 18.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.008 171.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 58.85 49.0 10.41 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.43 0.456 . . . . 0.0 110.833 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.19 12.4 37.55 Favored Glycine 0 N--CA 1.466 0.654 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.466 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -127.97 144.74 52.57 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 114.304 -0.948 . . . . 0.0 111.1 -169.6 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.88 132.55 50.47 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.676 2.251 . . . . 0.0 111.808 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.6 t -82.74 135.18 46.12 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.745 -171.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -33.15 -59.7 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.772 1 C-N-CA 125.555 4.17 . . . . 0.0 115.992 -178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.71 -11.16 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.392 -167.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 14.6 p -129.25 90.71 3.06 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -74.74 54.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.882 -0.511 . . . . 0.0 112.014 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.05 2.53 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.629 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -119.1 -43.26 2.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.8 -38.5 3.16 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' B' ' 11' ' ' ALA . 31.1 m -117.3 165.4 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.814 0.34 . . . . 0.0 111.647 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.614 HG23 ' SG ' ' B' ' 12' ' ' CYS . 3.4 pt -124.49 159.98 29.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.026 175.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.438 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -86.3 167.14 15.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.828 0.823 . . . . 0.0 113.122 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -104.06 -179.75 4.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.269 -1.332 . . . . 0.0 107.936 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.06 99.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 118.465 0.575 . . . . 0.0 110.425 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.8 -42.91 98.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.58 -31.61 70.88 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.781 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.621 ' HA ' HD23 ' B' ' 44' ' ' LEU . 3.0 m-85 -69.66 -33.88 73.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 19.3 m -69.37 -31.78 70.4 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.575 0.703 . . . . 0.0 109.654 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.97 -21.69 26.03 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.827 -174.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.04 -44.55 17.88 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.31 -177.557 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.56 -23.55 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.564 -176.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 66.6 t80 -74.89 -39.01 61.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.585 HG22 HG21 ' A' ' 47' ' ' ILE . 21.1 pt -79.19 -29.06 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.434 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.574 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 57.8 mm-40 -56.64 -57.36 12.72 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 169.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.604 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 23.3 ttmm -78.8 1.91 21.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -167.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.439 ' NE2' HD21 ' A' ' 36' ' ' LEU . 69.0 m80 -116.51 -1.27 12.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 118.323 -1.351 . . . . 0.0 114.067 165.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.44 -37.43 2.91 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.524 0.602 . . . . 0.0 111.428 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . 0.411 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -128.45 -25.81 2.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.676 -166.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.604 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.576 0.703 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.427 HD11 HD11 ' C' ' 8' ' ' LEU . 18.9 tt -124.19 135.13 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.479 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.16 154.61 39.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.194 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -64.8 -9.47 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.013 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.85 -12.22 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.403 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.99 3.31 30.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.115 0.483 . . . . 0.0 110.252 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 76.2 mt -119.79 -29.97 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -142.94 145.2 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.055 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.38 147.56 31.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.08 133.71 52.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.14 0.495 . . . . 0.0 111.853 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.807 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -61.5 172.08 1.13 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.766 1.227 . . . . 0.0 113.757 -171.122 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.807 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 39.2 Cg_exo -40.8 -46.32 4.83 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 123.916 3.077 . . . . 0.0 114.503 170.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.77 0.4 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.727 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 8.3 p -115.51 40.18 2.79 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 120.745 -1.222 . . . . 0.0 113.84 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.652 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.56 22.38 3.5 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.242 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.88 -8.61 0.47 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.18 -33.33 1.02 Allowed 'General case' 0 C--N 1.348 0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.51 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.43 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 82.62 19.3 64.11 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.983 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.727 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.3 OUTLIER -142.62 163.71 32.09 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.568 0.699 . . . . 0.0 110.909 -178.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.449 ' O ' ' HB ' ' C' ' 24' ' ' THR . 30.5 mm -128.79 109.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 59.47 49.07 9.05 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.261 0.351 . . . . 0.0 110.943 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.33 12.57 32.51 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.636 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 0.9 OUTLIER -128.53 145.95 58.04 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 114.309 -0.946 . . . . 0.0 111.267 -169.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -58.22 130.74 39.31 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.701 2.268 . . . . 0.0 112.248 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 46.5 t -80.2 133.89 56.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.477 -171.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -32.57 -60.24 0.2 Allowed 'Trans proline' 0 CA--C 1.539 0.734 1 C-N-CA 125.334 4.023 . . . . 0.0 115.963 -178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.17 -12.02 12.57 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 111.721 -166.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 14.6 p -129.78 93.13 3.45 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.3 m -74.47 54.11 0.57 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.034 0.445 . . . . 0.0 112.163 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.98 47.07 2.73 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.842 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -116.7 -42.16 3.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.21 -38.86 3.05 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' C' ' 11' ' ' ALA . 30.7 m -116.81 165.0 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.742 0.306 . . . . 0.0 111.488 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.63 159.87 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.882 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.426 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -86.17 168.02 14.37 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 37.1 p -104.24 179.79 4.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.259 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.28 99.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.436 0.562 . . . . 0.0 110.406 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -60.79 -42.3 97.32 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.392 174.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.15 -31.47 69.2 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.803 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.623 ' HA ' HD23 ' C' ' 44' ' ' LEU . 3.1 m-85 -69.98 -32.62 70.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 19.2 m -69.99 -32.32 70.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.509 0.671 . . . . 0.0 109.805 173.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.4 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.5 mp -86.76 -22.31 26.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.919 -174.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -80.21 -44.52 19.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.392 -177.729 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.7 -23.58 60.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.686 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' B' ' 8' ' ' LEU . 65.8 t80 -75.33 -38.77 60.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.34 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.582 HG21 HG22 ' A' ' 47' ' ' ILE . 21.4 pt -79.09 -29.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.419 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.553 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 58.8 mm-40 -56.16 -57.54 11.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.853 168.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 23.9 ttmm -78.65 1.86 21.4 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.419 ' NE2' HD21 ' B' ' 36' ' ' LEU . 70.5 m80 -116.46 -2.05 12.12 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.027 -1.469 . . . . 0.0 113.811 166.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.448 HD21 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -120.65 -41.58 2.57 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.186 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.48 -25.5 4.04 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.424 -166.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.4 mtmm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.136 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.412 HG12 ' OE1' ' B' ' 39' ' ' GLN . 9.9 p . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 122.172 0.986 . . . . 0.0 108.866 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.33 133.64 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.42 149.68 44.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -61.2 -20.1 62.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.677 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -82.31 -3.49 55.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -102.85 -17.5 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 111.07 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -113.41 -12.22 13.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 0.0 110.272 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -135.19 136.79 42.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.75 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.66 147.42 32.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.689 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.26 134.06 53.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.035 0.445 . . . . 0.0 110.91 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.932 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 t -67.74 162.31 58.95 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 124.184 0.994 . . . . 0.0 111.774 -171.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.932 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 24.2 Cg_exo -34.94 -42.79 0.36 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.773 2.982 . . . . 0.0 114.85 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.56 -3.3 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -171.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 8.1 p -119.35 44.11 2.44 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.309 -1.356 . . . . 0.0 113.968 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.689 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -89.14 20.54 3.64 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.625 0.25 . . . . 0.0 111.261 -175.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.87 -13.58 0.27 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -174.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.42 -52.42 2.77 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -168.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 12.93 39.88 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.409 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.5 pt-20 -164.82 171.8 13.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 24' ' ' THR . 48.1 mt -140.15 124.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 170.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 53.47 43.49 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.667 0.605 . . . . 0.0 111.23 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 66.4 5.92 31.45 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.287 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -124.83 159.31 59.17 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 117.569 0.685 . . . . 0.0 111.237 -176.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.61 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.4 Cg_endo -56.63 134.03 61.78 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.051 2.501 . . . . 0.0 112.117 176.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.86 133.59 43.21 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.772 -172.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -28.22 -57.62 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 126.215 4.61 . . . . 0.0 116.242 -176.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.1 -12.51 12.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.827 0.676 . . . . 0.0 112.827 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 19.8 p -127.58 -1.61 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.383 -0.927 . . . . 0.0 113.047 -176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t 64.34 -64.88 0.14 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.57 30.16 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -167.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 47.0 mtmt -100.87 -28.12 12.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.247 0.546 . . . . 0.0 109.76 -176.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.27 -39.76 2.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.492 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.81 165.23 11.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 122.525 -0.397 . . . . 0.0 111.486 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 29' ' ' CYS . 22.2 pt -127.01 159.46 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 175.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 44' ' ' LEU . 5.1 mp -87.83 164.87 15.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.654 0.74 . . . . 0.0 112.627 -174.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.403 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 69.8 p -105.07 173.91 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.058 173.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.07 77.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.537 0.608 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' OE1' HG12 ' C' ' 2' ' ' VAL . 50.6 tp60 -50.27 -53.75 26.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.658 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.48 -30.36 77.66 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.469 -0.787 . . . . 0.0 113.227 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.5 m-85 -70.51 -32.2 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.052 0.426 . . . . 0.0 111.583 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.3 m -69.54 -30.65 68.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 0.0 110.036 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -87.14 -13.91 42.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.574 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.86 -43.21 14.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.033 178.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.59 -23.2 62.53 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.32 0.581 . . . . 0.0 110.309 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.14 -43.06 58.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.321 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.639 HG21 HG22 ' B' ' 47' ' ' ILE . 17.9 pt -79.23 -28.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.983 -176.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 20.2 mm-40 -55.46 -55.47 31.41 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.679 168.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.02 -6.24 51.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.904 -165.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.45 ' CE1' HD21 ' C' ' 36' ' ' LEU . 20.3 m80 -116.46 -1.57 12.22 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.494 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -118.32 -49.58 2.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.69 0.757 . . . . 0.0 110.521 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -113.08 -30.28 7.04 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.484 -167.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.527 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 122.177 0.989 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.09 134.37 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.016 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.15 148.98 46.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.178 0.513 . . . . 0.0 110.038 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -60.53 -20.33 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.545 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -82.52 -3.23 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.4 -173.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -103.68 -16.76 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.88 -12.48 13.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.542 . . . . 0.0 110.3 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -135.27 136.66 41.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.785 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.93 146.93 33.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.692 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.5 133.11 51.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 0.0 110.897 -177.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.953 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 8.5 t -65.4 163.26 34.24 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.831 0.852 . . . . 0.0 112.166 -171.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.953 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 27.4 Cg_exo -35.93 -43.17 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.516 2.81 . . . . 0.0 114.912 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.49 -3.96 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.484 ' O ' ' HA2' ' B' ' 33' ' ' GLY . 7.6 p -118.48 43.96 2.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 117.85 -1.54 . . . . 0.0 113.638 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.692 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.33 19.95 4.1 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 122.197 -0.314 . . . . 0.0 111.527 -175.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.7 -13.07 0.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.78 -52.46 2.76 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -167.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.02 12.74 41.93 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.128 -1.034 . . . . 0.0 112.34 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.8 pt-20 -165.39 171.78 13.01 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.669 ' O ' HG22 ' B' ' 24' ' ' THR . 44.8 mt -141.12 125.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 53.28 43.07 31.96 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.713 0.633 . . . . 0.0 111.0 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.46 7.16 31.93 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.558 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.669 HG22 ' O ' ' B' ' 21' ' ' ILE . 1.2 t -125.24 157.85 65.93 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 117.451 0.626 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.571 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.3 Cg_endo -55.72 134.96 67.14 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.689 2.259 . . . . 0.0 111.746 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 9.9 t -86.79 134.09 38.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.015 -172.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -27.12 -59.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 126.068 4.512 . . . . 0.0 116.339 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.9 -12.87 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -166.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' B' ' 35' ' ' ILE . 21.4 p -126.81 -1.88 6.62 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.443 -0.903 . . . . 0.0 113.066 -176.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t 64.51 -65.07 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.643 0.589 . . . . 0.0 112.486 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.97 35.17 0.04 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 47.5 mtmt -105.13 -29.3 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.41 0.624 . . . . 0.0 109.981 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.18 -39.78 2.76 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.543 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -115.07 164.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.913 0.387 . . . . 0.0 111.254 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' B' ' 29' ' ' CYS . 21.0 pt -126.74 159.76 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.45 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.493 HD22 HD23 ' B' ' 44' ' ' LEU . 5.2 mp -87.61 165.52 15.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.515 0.674 . . . . 0.0 112.472 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -105.36 173.94 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.168 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -46.21 76.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.457 0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . 0.412 ' OE1' HG12 ' A' ' 2' ' ' VAL . 48.0 tp60 -50.29 -53.34 29.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.723 172.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.19 77.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.26 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' B' ' 44' ' ' LEU . 5.0 m-85 -70.55 -32.61 70.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.992 0.396 . . . . 0.0 111.552 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -69.15 -31.12 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.9 -13.6 44.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.437 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -85.02 -43.38 14.0 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.047 178.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.71 -22.97 62.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.3 0.572 . . . . 0.0 110.303 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.08 -43.3 58.2 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.325 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' ILE . 17.7 pt -79.34 -28.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.879 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 19.9 mm-40 -55.4 -55.83 27.11 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 27.8 ttmt -77.31 -5.51 49.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.047 -165.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.451 ' CE1' HD21 ' A' ' 36' ' ' LEU . 20.3 m80 -116.51 -2.0 12.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 118.067 -1.453 . . . . 0.0 113.381 171.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.6 mm? -117.78 -51.12 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.782 0.801 . . . . 0.0 110.421 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.9 -28.54 8.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.48 -167.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.5 mtmt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.719 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . 0.473 HG12 ' OE1' ' A' ' 39' ' ' GLN . 9.9 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 122.239 1.019 . . . . 0.0 108.932 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 tt -140.38 133.88 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.733 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.85 150.92 45.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.068 0.461 . . . . 0.0 110.042 177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -61.9 -20.2 63.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.533 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.15 -4.16 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.35 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.24 -15.35 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.916 0.388 . . . . 0.0 110.972 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.6 -11.9 12.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.274 0.559 . . . . 0.0 110.421 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -135.75 137.29 41.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.786 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.46 146.55 33.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.35 133.45 52.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.07 0.462 . . . . 0.0 110.774 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.944 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 9.0 t -66.32 162.78 45.41 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 124.24 1.016 . . . . 0.0 111.808 -170.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.944 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 23.5 Cg_exo -35.06 -43.36 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.83 3.02 . . . . 0.0 114.851 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' C' ' 21' ' ' ILE . 0.0 OUTLIER -161.08 -4.1 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.459 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 14.4 p -118.18 43.32 2.48 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 117.845 -1.542 . . . . 0.0 114.179 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.66 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -88.82 20.16 3.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.694 0.283 . . . . 0.0 111.165 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -14.7 0.33 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -174.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.77 -52.67 2.74 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 13.05 39.48 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.543 -172.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -164.54 172.69 12.93 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.799 0.44 . . . . 0.0 109.942 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.576 ' O ' HG22 ' C' ' 24' ' ' THR . 45.3 mt -141.9 125.46 15.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 53.42 43.24 31.61 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.71 0.631 . . . . 0.0 111.067 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.21 11.4 39.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.412 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.589 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.8 OUTLIER -128.28 157.63 73.84 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 117.435 0.618 . . . . 0.0 111.26 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . 0.589 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 19.2 Cg_endo -56.56 133.67 59.48 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.06 2.507 . . . . 0.0 112.067 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.87 134.38 41.68 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -28.37 -59.3 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.774 1 C-N-CA 126.119 4.546 . . . . 0.0 116.19 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.42 -12.97 13.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -166.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.402 ' HB3' ' CG2' ' C' ' 35' ' ' ILE . 20.7 p -127.08 -2.4 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.357 -0.937 . . . . 0.0 113.054 -176.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 42.6 t 64.29 -65.19 0.13 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.21 31.43 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -168.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.416 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 46.4 mtmt -101.97 -28.97 12.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.377 0.608 . . . . 0.0 109.891 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.5 -39.84 2.75 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.458 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.04 164.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.9 0.381 . . . . 0.0 111.587 -176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 22.0 pt -127.14 159.36 37.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.505 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.488 HD22 HD23 ' C' ' 44' ' ' LEU . 5.2 mp -87.64 165.43 15.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.52 0.676 . . . . 0.0 112.499 -173.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . 0.405 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 74.6 p -105.24 174.52 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.154 173.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.43 80.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.627 0.649 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -50.41 -53.54 28.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.34 77.68 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.235 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.557 ' HA ' HD23 ' C' ' 44' ' ' LEU . 5.3 m-85 -70.53 -32.49 69.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.031 0.415 . . . . 0.0 111.601 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 56.3 m -69.31 -31.02 69.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.492 0.663 . . . . 0.0 109.981 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -87.01 -13.5 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.509 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -85.11 -43.33 13.97 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.001 179.014 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.78 -23.29 62.36 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.182 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -73.96 -43.0 59.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.315 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.625 HG21 HG22 ' A' ' 47' ' ' ILE . 17.6 pt -79.26 -27.83 13.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.959 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 20.3 mm-40 -55.77 -55.39 32.98 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.667 168.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.448 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 27.4 ttmt -77.49 -5.33 49.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.903 -165.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.459 ' CE1' HD21 ' B' ' 36' ' ' LEU . 20.5 m80 -116.79 -1.92 11.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.14 -1.424 . . . . 0.0 113.627 171.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.435 HD23 ' O ' ' C' ' 47' ' ' ILE . 3.6 mm? -117.96 -47.33 2.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.777 0.799 . . . . 0.0 110.726 173.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -30.06 6.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.405 -167.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.445 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 19.6 mtmt . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.858 -178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.235 1.017 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 tt -138.44 131.93 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.218 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.26 150.22 42.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.196 0.522 . . . . 0.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -63.92 -17.91 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.296 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.94 -4.45 56.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.128 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.33 -15.84 15.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.207 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.51 -16.77 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' OE2' ' NE2' ' B' ' 50' ' ' HIS . 96.7 mt-10 -133.12 135.68 45.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.123 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.76 142.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.535 ' HB1' ' CB ' ' A' ' 16' ' ' GLU . . . -63.66 135.21 56.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -59.56 166.88 2.81 Favored Pre-proline 0 N--CA 1.455 -0.204 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -170.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -46.67 -34.51 15.52 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.066 2.511 . . . . 0.0 113.824 172.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CE ' HG23 ' A' ' 21' ' ' ILE . 58.5 tttp -154.49 -24.93 0.12 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 5.7 p -117.9 45.14 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -172.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.711 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.9 26.61 1.77 Allowed 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -172.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -15.67 0.35 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.13 -31.14 5.12 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.829 -176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.02 12.79 65.36 Favored Glycine 0 C--O 1.218 -0.899 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.35 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.664 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 6.3 mm-40 -162.45 169.18 20.82 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' THR . 25.8 mt -135.46 122.79 35.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 56.48 44.29 24.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.108 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.92 5.34 39.06 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.382 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -120.77 141.4 32.36 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 114.366 -0.917 . . . . 0.0 111.343 -169.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.664 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -57.01 128.33 29.45 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.778 2.318 . . . . 0.0 111.744 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 44.3 t -80.45 139.09 51.48 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.074 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.0 Cg_exo -31.39 -58.05 0.21 Allowed 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 125.838 4.359 . . . . 0.0 115.964 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.01 -5.75 6.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.759 -165.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.3 p -129.17 87.11 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -73.58 52.61 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 0.0 112.051 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 99.79 52.72 1.17 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.916 174.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' B' ' 49' ' ' LYS . 28.2 mtmm -127.99 -41.53 1.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 117.136 0.468 . . . . 0.0 109.853 175.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.711 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.37 -38.6 3.18 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.2 167.39 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.21 0.528 . . . . 0.0 111.649 -175.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.499 HG23 ' SG ' ' A' ' 12' ' ' CYS . 6.6 pt -127.41 160.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.836 172.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD22 HD23 ' A' ' 44' ' ' LEU . 4.5 mp -86.94 165.08 16.15 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.355 0.598 . . . . 0.0 112.383 -172.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.1 p -105.2 174.44 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.15 -43.52 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.48 0.582 . . . . 0.0 111.958 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.33 -44.58 95.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.694 0.283 . . . . 0.0 110.803 175.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.52 -29.93 73.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.0 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.2 m-85 -68.82 -35.08 76.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.605 0.24 . . . . 0.0 111.094 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 m -70.26 -31.85 69.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.376 0.608 . . . . 0.0 110.325 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.6 mp -87.06 -13.04 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.098 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.673 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -90.65 -43.3 10.25 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.038 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.61 -19.14 62.16 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.505 -0.747 . . . . 0.0 109.79 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -75.13 -43.76 50.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.362 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.74 HD13 HD21 ' B' ' 51' ' ' LEU . 1.5 pp -80.47 -22.34 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 118.724 -1.19 . . . . 0.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.1 mm-40 -57.84 -60.35 3.84 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 166.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 28.9 ttmt -77.3 -0.69 26.44 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.512 -166.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.41 ' NE2' ' OE2' ' C' ' 9' ' ' GLU . 75.5 m-70 -118.49 -2.25 11.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 118.37 -1.332 . . . . 0.0 113.912 166.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD21 HD13 ' C' ' 47' ' ' ILE . 2.6 mm? -125.01 -55.27 1.59 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.34 0.518 . . . . 0.0 111.243 174.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.47 -12.43 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -167.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 2.3 mtmm . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 122.301 1.048 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -139.44 131.63 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.338 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.55 148.81 44.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.095 0.474 . . . . 0.0 110.191 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -62.85 -17.94 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.385 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.01 -4.57 57.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -103.69 -15.53 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.415 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -112.58 -15.71 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.409 ' OE2' ' NE2' ' C' ' 50' ' ' HIS . 96.7 mt-10 -133.9 135.29 43.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.211 176.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.23 142.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' B' ' 16' ' ' GLU . . . -64.05 134.22 54.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.004 0.43 . . . . 0.0 110.371 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.66 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.94 165.57 4.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -170.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.66 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 61.9 Cg_exo -44.88 -35.21 9.58 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.171 2.581 . . . . 0.0 114.169 174.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -154.72 -25.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -165.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 20.5 p -117.31 44.62 2.07 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -171.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.704 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.98 26.18 2.2 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -170.304 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -13.54 0.43 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.3 -34.15 3.92 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.879 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.429 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.89 10.99 59.43 Favored Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.735 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.623 ' OE1' ' HA ' ' B' ' 25' ' ' PRO . 6.5 mm-40 -163.69 170.49 16.97 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -172.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' B' ' 24' ' ' THR . 27.0 mt -137.52 122.69 24.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -174.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 57.93 43.2 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.739 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.57 5.33 29.54 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.08 140.21 29.54 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 114.182 -1.009 . . . . 0.0 110.967 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.623 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 18.3 Cg_endo -56.51 127.26 25.2 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.935 2.423 . . . . 0.0 112.394 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 53.2 t -80.94 137.89 49.95 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 69.7 Cg_exo -31.29 -56.66 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 125.916 4.411 . . . . 0.0 116.313 -178.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.52 -6.3 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.5 . . . . 0.0 111.83 -166.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 31.1 p -129.97 86.68 2.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -74.3 54.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.154 0.502 . . . . 0.0 111.946 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 100.3 50.32 1.34 Allowed Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.179 173.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' C' ' 49' ' ' LYS . 28.8 mtmm -125.97 -39.82 2.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.425 0.613 . . . . 0.0 110.044 175.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.704 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.33 -38.81 3.12 Favored Glycine 0 N--CA 1.437 -1.273 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.0 m -115.0 167.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.058 0.456 . . . . 0.0 111.705 -175.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.3 pt -127.3 160.49 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.718 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.427 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -86.84 165.5 15.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.508 0.67 . . . . 0.0 112.543 -172.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.6 p -105.29 174.33 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.31 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.02 74.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.505 0.593 . . . . 0.0 111.791 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.21 -43.92 95.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 174.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.22 -30.22 71.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.964 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.582 ' HA ' HD23 ' B' ' 44' ' ' LEU . 12.9 m-85 -68.9 -34.2 75.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.571 0.224 . . . . 0.0 111.114 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -70.79 -31.88 68.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.397 0.617 . . . . 0.0 110.335 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 47' ' ' ILE . 4.7 mp -86.92 -13.62 44.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.09 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -90.28 -43.39 10.4 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 120.644 -0.423 . . . . 0.0 109.957 -177.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.73 -18.73 62.12 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -75.29 -44.0 48.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.449 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.746 HD13 HD21 ' C' ' 51' ' ' LEU . 1.6 pp -80.46 -22.57 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.104 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -57.28 -60.98 2.81 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.635 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 28.3 ttmt -77.45 -0.28 25.38 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.479 -166.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.411 ' NE2' ' OE2' ' A' ' 9' ' ' GLU . 74.4 m-70 -118.08 -1.91 11.33 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 118.538 -1.265 . . . . 0.0 114.023 165.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.74 HD21 HD13 ' A' ' 47' ' ' ILE . 2.6 mm? -125.6 -56.05 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.402 0.546 . . . . 0.0 111.117 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -109.7 -11.33 14.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -167.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.635 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 2.5 mtmm . . . . . 0 C--O 1.246 0.918 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 122.281 1.039 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.03 131.94 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.408 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.77 149.15 44.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.166 0.508 . . . . 0.0 110.389 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -62.48 -17.9 60.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.402 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.67 -5.36 58.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -103.15 -15.83 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.52 -16.58 12.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.053 0.454 . . . . 0.0 110.813 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . 0.41 ' OE2' ' NE2' ' A' ' 50' ' ' HIS . 96.4 mt-10 -133.25 134.09 43.52 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.368 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.15 142.45 43.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' C' ' 16' ' ' GLU . . . -64.07 133.96 54.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.034 0.445 . . . . 0.0 110.375 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.639 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -58.9 166.89 2.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -170.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.639 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 76.0 Cg_exo -47.37 -33.61 17.2 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.051 2.501 . . . . 0.0 114.021 173.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . 0.402 ' CE ' HG23 ' C' ' 21' ' ' ILE . 58.8 tttp -154.84 -25.26 0.12 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -166.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 6.7 p -117.55 45.42 1.93 Allowed 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -172.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.695 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.07 27.02 1.7 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.139 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.9 -15.37 0.36 Allowed 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.99 -33.92 4.58 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.871 -177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.26 10.52 60.79 Favored Glycine 0 C--O 1.217 -0.953 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.518 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.64 ' OE1' ' HA ' ' C' ' 25' ' ' PRO . 6.6 mm-40 -162.83 169.49 19.76 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.568 ' O ' ' HB ' ' C' ' 24' ' ' THR . 21.2 mt -136.78 123.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 120.747 0.308 . . . . 0.0 110.394 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 55.62 46.46 22.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.975 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.93 11.25 50.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.122 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.568 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.6 m -126.87 139.74 35.78 Favored Pre-proline 0 C--N 1.303 -1.417 0 CA-C-N 114.066 -1.067 . . . . 0.0 111.494 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . 0.64 ' HA ' ' OE1' ' C' ' 20' ' ' GLU . 19.1 Cg_endo -56.98 126.43 22.19 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.958 2.438 . . . . 0.0 111.846 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 54.0 t -79.99 139.06 53.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.465 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 70.0 Cg_exo -30.79 -58.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 1 C-N-CA 125.996 4.464 . . . . 0.0 116.137 -179.443 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.6 -6.55 6.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.199 0.524 . . . . 0.0 111.696 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.2 p -128.99 85.54 2.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -74.1 54.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.091 0.472 . . . . 0.0 111.758 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.45 52.76 1.19 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.797 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 49' ' ' LYS . 29.7 mtmm -128.19 -41.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.286 0.543 . . . . 0.0 109.924 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.695 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.52 -38.83 3.08 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -176.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.5 m -114.91 167.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.034 0.445 . . . . 0.0 111.583 -175.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 pt -127.44 160.12 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.811 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.404 HD22 HD23 ' C' ' 44' ' ' LEU . 4.5 mp -86.73 165.13 16.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.301 0.572 . . . . 0.0 112.216 -172.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -105.2 175.67 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.599 0.636 . . . . 0.0 111.793 -176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.77 -43.51 97.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.628 0.252 . . . . 0.0 110.734 174.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.23 72.02 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.906 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.585 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.7 m-85 -68.89 -34.92 76.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.501 0.191 . . . . 0.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -70.24 -31.54 68.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 0.0 110.248 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.588 ' O ' HG13 ' C' ' 47' ' ' ILE . 4.5 mp -87.17 -12.82 45.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.029 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.3 OUTLIER -91.18 -43.05 10.1 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.046 -177.055 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.56 -19.27 62.18 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.526 -0.734 . . . . 0.0 109.718 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -75.18 -43.77 50.28 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.324 173.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.758 HD13 HD21 ' A' ' 51' ' ' LEU . 1.5 pp -80.32 -22.44 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.158 -178.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 75.2 mm-40 -57.5 -61.06 2.77 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 166.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.3 ttmt -77.47 -0.3 25.52 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.485 -166.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.409 ' NE2' ' OE2' ' B' ' 9' ' ' GLU . 73.0 m-70 -118.13 -1.75 11.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 118.658 -1.217 . . . . 0.0 113.82 166.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.746 HD21 HD13 ' B' ' 47' ' ' ILE . 2.6 mm? -125.49 -57.95 1.45 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.325 0.511 . . . . 0.0 110.817 174.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -108.1 -12.09 15.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -167.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.595 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 1.8 mtmm . . . . . 0 C--O 1.246 0.875 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 CA--C 1.531 0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -123.73 138.76 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 -175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.15 160.49 23.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.504 173.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -66.47 -13.1 60.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.083 0.468 . . . . 0.0 110.763 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.67 -4.12 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.97 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -101.62 -7.36 22.78 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 110.646 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -114.71 -20.26 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.456 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -146.16 143.71 29.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.04 148.98 31.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.013 -174.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.54 131.07 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.153 0.502 . . . . 0.0 111.15 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.795 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 t -67.51 156.94 87.45 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.795 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 44.4 Cg_exo -36.65 -37.77 0.31 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 123.747 2.965 . . . . 0.0 115.101 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -144.05 -30.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 26.5 p -117.97 44.22 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -165.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.65 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.06 24.77 2.69 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.333 -177.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.78 -7.56 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -173.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.26 -40.21 0.82 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.967 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.77 15.47 56.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.643 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -152.83 162.52 41.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.399 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.571 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.8 mt -140.29 121.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 58.19 43.17 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.867 0.73 . . . . 0.0 111.027 -174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.2 11.58 9.66 Favored Glycine 0 CA--C 1.504 -0.601 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.809 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.571 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.72 144.93 36.5 Favored Pre-proline 0 C--N 1.305 -1.34 0 CA-C-N 114.978 -0.611 . . . . 0.0 111.199 -170.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.45 126.33 22.14 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.981 2.454 . . . . 0.0 111.122 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.569 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 35.1 t -82.03 140.44 46.36 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.711 -166.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 78.5 Cg_exo -30.31 -58.23 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.22 1 C-N-CA 125.997 4.464 . . . . 0.0 116.145 -177.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.74 -4.69 7.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.668 -168.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 13.8 p -132.35 95.25 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -77.51 53.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.029 0.442 . . . . 0.0 111.456 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.06 41.77 3.69 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.273 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -111.36 -43.12 3.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.38 0.61 . . . . 0.0 109.401 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.67 -38.71 2.92 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -174.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.47 163.8 11.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 0.0 112.094 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 pt -123.51 161.1 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.062 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 44' ' ' LEU . 3.7 mp -88.02 158.2 18.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.523 0.677 . . . . 0.0 112.386 -173.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -106.6 175.67 5.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.499 -1.228 . . . . 0.0 107.889 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.65 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -57.81 -43.55 85.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.12 0.486 . . . . 0.0 110.507 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.25 -29.33 73.19 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.934 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.597 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -70.01 -33.31 71.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.537 0.208 . . . . 0.0 111.188 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -70.63 -32.06 69.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.692 175.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.08 -15.8 40.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.023 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -83.39 -41.6 17.97 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.997 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.12 -25.33 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.524 . . . . 0.0 110.705 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 68.9 t80 -74.81 -40.66 60.96 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.953 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.647 HG21 HG22 ' B' ' 47' ' ' ILE . 19.2 pt -80.09 -27.38 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.773 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.8 mm-40 -55.3 -60.24 3.67 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 11.2 ttpp -78.88 2.02 21.51 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.594 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.472 ' CE1' HD21 ' C' ' 36' ' ' LEU . 70.8 m-70 -116.88 -2.13 11.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 117.842 -1.543 . . . . 0.0 114.569 164.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.4 mm? -122.19 -50.63 2.01 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.562 0.619 . . . . 0.0 111.11 174.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.417 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.567 -168.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.7 mtmt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.393 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 121.006 0.431 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -123.7 139.18 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 159.8 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -64.0 -14.88 57.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.153 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -83.51 -4.15 58.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -101.88 -4.39 26.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.99 0.424 . . . . 0.0 110.587 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.457 HD21 HE21 ' B' ' 39' ' ' GLN . 94.4 mt -116.88 -20.6 9.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.147 0.499 . . . . 0.0 110.24 177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -145.88 145.74 30.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.52 149.53 29.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.667 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.05 130.53 45.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.248 0.547 . . . . 0.0 111.283 -176.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.833 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 38.8 t -65.84 157.04 81.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.084 0.954 . . . . 0.0 112.427 -169.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.833 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -37.24 -39.41 0.57 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.586 2.857 . . . . 0.0 114.831 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -142.6 -29.92 0.55 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -166.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 17.3 p -116.97 46.08 1.74 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -168.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.667 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 24.84 2.47 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 120.903 0.383 . . . . 0.0 109.995 -177.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.59 -14.37 0.44 Allowed 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -171.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.01 -41.66 1.78 Allowed 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.302 -0.863 . . . . 0.0 113.205 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.0 15.15 55.01 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.671 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.3 pt-20 -153.57 164.83 37.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.053 0.454 . . . . 0.0 110.258 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.575 ' O ' ' HB ' ' B' ' 24' ' ' THR . 21.9 mt -143.41 121.17 6.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 57.45 43.7 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.935 0.772 . . . . 0.0 110.619 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 12.84 8.93 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.692 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.575 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.98 143.1 36.05 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.677 -0.762 . . . . 0.0 110.803 -167.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.46 121.44 9.94 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.147 2.565 . . . . 0.0 111.598 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.8 t -76.58 139.38 67.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.19 -0.913 . . . . 0.0 113.191 -168.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 71.4 Cg_exo -28.62 -59.41 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 126.155 4.57 . . . . 0.0 116.266 -178.469 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.02 -9.37 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.363 0.602 . . . . 0.0 111.661 -167.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 28.7 p -131.02 96.08 3.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.3 t -79.65 53.85 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 111.219 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.68 3.05 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.843 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 34' ' ' VAL . 46.7 mtmt -113.68 -44.06 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.07 -39.03 2.79 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -173.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.425 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 28.7 m -113.94 163.43 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 112.076 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.6 pt -123.75 160.42 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.809 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' B' ' 44' ' ' LEU . 3.7 mp -87.58 157.87 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.543 0.687 . . . . 0.0 112.527 -173.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -107.06 173.51 6.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.038 170.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.87 70.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . 0.457 HE21 HD21 ' B' ' 8' ' ' LEU . 12.0 tt0 -58.84 -43.71 90.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 110.667 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.06 -29.1 73.26 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.55 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -70.37 -33.03 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.78 -0.247 . . . . 0.0 111.37 177.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -70.5 -31.64 68.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.245 0.545 . . . . 0.0 110.726 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.08 -17.87 33.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -82.07 -40.88 21.34 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.136 178.7 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.03 -25.59 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.311 0.576 . . . . 0.0 110.69 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 69.0 t80 -74.81 -41.11 60.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 176.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.647 HG22 HG21 ' A' ' 47' ' ' ILE . 18.9 pt -79.99 -27.3 12.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.747 -177.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.6 mm-40 -55.16 -60.43 3.39 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 166.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.605 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 11.9 ttpp -78.97 1.74 22.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.666 -166.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.459 ' CE1' HD21 ' A' ' 36' ' ' LEU . 71.6 m-70 -116.49 -1.65 12.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.011 -1.475 . . . . 0.0 114.421 164.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.4 mm? -122.59 -52.91 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.625 0.648 . . . . 0.0 110.979 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -110.42 -18.24 13.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.573 -168.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.605 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.6 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.403 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.39 138.92 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.35 160.63 23.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -65.57 -13.94 60.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.014 0.435 . . . . 0.0 111.063 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.34 -4.25 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.826 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -103.05 -3.29 26.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.0 mt -117.06 -20.44 9.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 0.0 110.259 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -145.71 145.83 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.425 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -134.27 148.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.201 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.657 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.42 130.71 45.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 0.0 111.173 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.869 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 12.4 t -67.82 157.42 86.57 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.869 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.5 Cg_exo -36.2 -39.92 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.824 3.016 . . . . 0.0 114.646 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -142.79 -28.74 0.57 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 4.8 p -115.74 43.84 2.02 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.657 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.8 24.17 2.83 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.002 0.43 . . . . 0.0 110.374 -177.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 -11.98 0.45 Allowed 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.48 -40.26 1.43 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.381 -0.827 . . . . 0.0 113.157 -172.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.95 57.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.422 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.7 pt-20 -152.27 165.58 34.45 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.11 -177.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.566 HD12 ' SG ' ' C' ' 26' ' ' CYS . 16.4 mt -143.77 122.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 173.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 58.13 42.95 21.42 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.889 0.743 . . . . 0.0 110.79 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.55 15.81 9.41 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.632 -176.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.556 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -122.52 144.18 41.6 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.26 -169.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.26 122.04 11.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.23 2.62 . . . . 0.0 111.484 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' C' ' 21' ' ' ILE . 43.9 t -80.49 139.17 51.38 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.974 -167.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.555 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 84.3 Cg_exo -28.73 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.076 1 C-N-CA 126.157 4.572 . . . . 0.0 116.449 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.75 -7.27 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.372 0.606 . . . . 0.0 111.671 -168.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 14.4 p -131.01 94.44 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 27.2 t -77.78 54.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.34 45.3 3.04 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.954 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.422 ' HE3' ' O ' ' C' ' 34' ' ' VAL . 49.1 mtmt -113.47 -44.87 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.54 -38.86 2.81 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -173.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.422 ' O ' ' HE3' ' C' ' 32' ' ' LYS . 27.7 m -114.14 163.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 0.0 112.069 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.6 160.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.912 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.571 HD22 HD23 ' C' ' 44' ' ' LEU . 3.7 mp -87.69 158.04 18.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.586 0.708 . . . . 0.0 112.493 -173.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.8 173.73 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.104 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.66 70.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -57.14 -46.1 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.727 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -28.44 73.75 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.224 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -70.09 -33.47 71.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.752 -0.263 . . . . 0.0 111.092 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -70.22 -31.54 69.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.213 0.53 . . . . 0.0 110.853 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.03 -17.45 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 -177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.29 -40.78 21.02 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.123 178.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.35 -25.48 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 0.0 110.799 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 69.3 t80 -74.76 -41.0 60.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.026 176.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.86 -27.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.803 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.1 -60.34 3.52 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 166.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.608 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 11.6 ttpp -79.18 1.89 22.93 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.629 -166.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.444 ' CE1' HD21 ' B' ' 36' ' ' LEU . 72.4 m-70 -116.62 -2.39 11.96 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.844 -1.542 . . . . 0.0 114.428 164.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.4 mm? -122.11 -51.5 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.479 0.657 . . . . 0.0 111.022 174.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -111.44 -18.83 12.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.67 -168.663 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.608 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.0 mtmt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.826 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 121.481 0.658 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.85 136.83 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.38 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.6 172.49 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 175.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 m -62.26 -24.95 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.265 0.555 . . . . 0.0 110.733 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.25 -3.67 55.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.444 -172.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.69 0.1 35.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 110.589 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 87.5 mt -125.2 -28.74 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -142.96 147.24 34.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.306 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -127.57 140.15 49.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.571 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -65.23 137.48 57.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 111.164 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -59.46 169.72 1.25 Allowed Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -48.34 -37.6 32.62 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.985 2.457 . . . . 0.0 113.75 173.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.41 -13.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -167.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 23.0 p -117.16 43.31 2.34 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 119.051 0.841 . . . . 0.0 112.965 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -92.3 29.23 1.72 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.158 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.455 ' H ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -148.46 -18.52 0.33 Allowed 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -174.465 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -132.73 -29.42 1.51 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.489 -175.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.46 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 80.86 26.43 53.52 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 120.599 -0.81 . . . . 0.0 114.273 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 5.7 pt-20 -138.54 159.89 40.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.564 0.697 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.554 ' O ' ' HB ' ' A' ' 24' ' ' THR . 47.9 mm -127.31 109.17 19.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.186 169.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 61.76 46.72 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.422 0.451 . . . . 0.0 111.372 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.58 -1.47 14.47 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.496 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.9 m -118.62 147.47 42.14 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 115.267 -0.466 . . . . 0.0 111.738 -168.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -55.15 125.43 19.15 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.295 2.664 . . . . 0.0 112.254 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 52.0 t -74.15 137.98 75.59 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -171.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -29.95 -54.26 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 126.327 4.685 . . . . 0.0 116.212 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.77 -9.64 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.748 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 26.8 p -132.05 98.79 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.786 0.326 . . . . 0.0 110.149 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.76 58.57 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.152 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 90.94 45.58 4.15 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.412 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 12.9 mtpp -123.5 -39.96 2.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -171.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.21 -40.01 2.69 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.6 m -123.49 167.88 16.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 122.332 -0.511 . . . . 0.0 112.053 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.4 pt -130.61 163.95 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.357 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD22 HD23 ' A' ' 44' ' ' LEU . 3.6 mp -87.95 159.29 18.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -172.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -106.74 176.8 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.046 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.34 -46.53 69.55 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -57.73 -44.12 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.56 -29.7 72.93 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.845 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.4 m-85 -68.87 -33.12 73.27 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.856 -0.202 . . . . 0.0 111.201 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 m -71.94 -33.5 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.398 0.618 . . . . 0.0 110.486 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.46 -17.3 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.792 -174.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.39 -45.44 16.1 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.98 -20.46 61.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 110.541 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.186 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.606 ' O ' HD11 ' B' ' 51' ' ' LEU . 2.7 pp -78.24 -27.13 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.239 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HA ' HD21 ' B' ' 51' ' ' LEU . 39.3 mm-40 -52.28 -59.92 3.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.752 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 18.1 ttmm -79.36 1.96 23.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.375 -166.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.742 ' O ' HD23 ' A' ' 51' ' ' LEU . 78.6 m-70 -115.49 -3.77 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 116.131 -2.228 . . . . 0.0 114.917 169.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 50' ' ' HIS . 20.7 mt -126.69 -37.21 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.073 0.851 . . . . 0.0 111.77 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -105.89 -33.46 7.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.366 0.603 . . . . 0.0 111.208 -172.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.752 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.0 mtmt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.765 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 121.421 0.629 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -134.92 137.22 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.273 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.18 171.43 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -60.67 -23.34 64.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 111.107 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.91 -5.8 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -172.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.01 1.07 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 110.842 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.403 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 88.2 mt -126.03 -27.76 3.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.125 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -142.79 148.86 37.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.31 140.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.511 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.56 137.22 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.252 0.548 . . . . 0.0 111.213 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.02 169.72 1.06 Allowed Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -173.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.667 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 70.4 Cg_exo -48.13 -36.87 29.69 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.228 2.619 . . . . 0.0 114.243 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.4 -13.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -167.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 18.2 p -117.19 44.06 2.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.831 1.196 . . . . 0.0 113.211 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.66 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.46 28.79 1.61 Allowed 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -177.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.03 -18.45 0.35 Allowed 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -174.315 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -132.68 -27.51 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.064 -176.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.476 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 80.65 24.57 58.22 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.34 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.2 pt-20 -137.73 160.34 39.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.369 0.604 . . . . 0.0 110.49 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' B' ' 24' ' ' THR . 46.5 mm -128.21 110.44 21.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 114.635 -1.166 . . . . 0.0 108.227 170.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 61.16 45.28 9.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.522 0.514 . . . . 0.0 111.197 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.7 0.13 23.43 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.891 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.515 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.7 m -120.51 146.21 42.57 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-N 114.913 -0.644 . . . . 0.0 110.752 -167.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' B' ' 24' ' ' THR . 17.9 Cg_endo -54.47 126.38 22.1 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.801 2.334 . . . . 0.0 112.599 -178.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.1 t -74.41 136.34 75.18 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.252 -172.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -29.74 -53.04 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.061 1 C-N-CA 126.593 4.862 . . . . 0.0 116.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.26 -8.59 7.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.75 -167.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.494 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 30.4 p -133.39 98.35 4.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.163 0.506 . . . . 0.0 110.023 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -77.55 58.35 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.092 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.476 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 90.2 48.27 3.6 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.09 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 13.4 mtpp -125.81 -39.98 2.08 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.655 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.1 -40.49 2.53 Favored Glycine 0 N--CA 1.431 -1.661 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.6 m -123.25 168.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.176 0.513 . . . . 0.0 112.109 -174.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 pt -131.46 163.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.273 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.541 HD22 HD23 ' B' ' 44' ' ' LEU . 3.6 mp -87.63 159.54 18.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.73 176.87 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.121 169.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.57 69.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.57 -44.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.568 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -68.16 -29.4 73.32 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.908 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.573 ' HA ' HD23 ' B' ' 44' ' ' LEU . 12.6 m-85 -68.85 -33.6 74.09 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.802 -0.234 . . . . 0.0 111.112 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -71.57 -33.38 69.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.452 0.644 . . . . 0.0 110.578 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.44 -16.87 35.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.803 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -81.74 -44.98 16.31 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.211 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.25 -22.0 61.3 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 110.502 -175.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.414 ' HZ ' ' O ' ' A' ' 40' ' ' GLY . 64.3 t80 -74.08 -43.59 57.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.128 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.592 ' O ' HD11 ' C' ' 51' ' ' LEU . 2.7 pp -78.45 -26.76 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.252 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.508 ' HA ' HD21 ' C' ' 51' ' ' LEU . 40.3 mm-40 -52.66 -59.85 3.97 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 166.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.773 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 17.1 ttmm -79.34 1.72 24.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.349 -166.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.748 ' O ' HD23 ' B' ' 51' ' ' LEU . 77.7 m-70 -115.52 -3.11 12.39 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 115.993 -2.283 . . . . 0.0 115.225 169.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 50' ' ' HIS . 21.6 mt -127.35 -36.57 2.1 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.054 0.843 . . . . 0.0 111.831 168.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.05 -33.51 7.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.164 0.507 . . . . 0.0 111.185 -172.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.773 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.423 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.05 136.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.271 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.28 170.7 9.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.456 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.8 m -59.06 -24.0 62.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.099 0.476 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.65 -6.03 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -172.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.29 -0.31 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.705 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.28 -28.36 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.293 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -142.89 147.72 35.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.237 0.541 . . . . 0.0 110.384 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.91 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.473 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.622 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.18 137.77 57.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.076 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.88 168.54 1.42 Allowed Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -47.37 -38.12 26.22 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.201 2.6 . . . . 0.0 113.723 173.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.89 -10.96 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.608 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 17.7 p -114.92 41.13 2.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 118.388 -1.325 . . . . 0.0 114.041 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.08 28.78 1.52 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -176.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.434 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -147.7 -19.59 0.37 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -176.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -131.81 -27.22 1.91 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.309 -174.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.463 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 79.67 25.8 57.77 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.41 -0.9 . . . . 0.0 114.034 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.8 pt-20 -137.86 161.49 36.48 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.449 0.643 . . . . 0.0 110.645 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.568 ' O ' ' HB ' ' C' ' 24' ' ' THR . 47.9 mm -129.03 110.29 20.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.222 169.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.44 46.85 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.622 0.576 . . . . 0.0 111.411 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.26 1.26 26.71 Favored Glycine 0 CA--C 1.51 -0.241 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.553 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.568 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 2.0 m -121.86 146.82 46.98 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.596 -0.802 . . . . 0.0 111.158 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' C' ' 24' ' ' THR . 19.3 Cg_endo -54.77 130.82 42.52 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.807 2.338 . . . . 0.0 111.77 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.6 t -79.86 138.47 53.79 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.373 -171.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 63.7 Cg_exo -29.74 -53.54 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.193 1 C-N-CA 125.748 4.299 . . . . 0.0 116.114 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.73 -8.08 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.684 -167.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.608 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 19.9 p -132.14 94.77 3.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -77.42 57.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.939 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.463 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 90.21 51.44 2.77 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 14.8 mtpp -127.45 -41.17 1.74 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -173.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.646 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.49 -40.1 2.64 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.7 m -123.97 168.78 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.129 0.49 . . . . 0.0 112.253 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.59 164.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.403 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.545 HD22 HD23 ' C' ' 44' ' ' LEU . 3.6 mp -88.0 160.05 18.04 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.93 176.43 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.115 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.61 -47.15 67.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -57.29 -44.28 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 -29.54 72.62 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.928 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.8 m-85 -68.96 -33.22 73.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.839 -0.212 . . . . 0.0 111.11 177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 16.6 m -71.99 -33.35 68.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.445 0.64 . . . . 0.0 110.642 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.24 -17.02 35.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.774 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -81.67 -45.33 15.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.199 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.01 -20.58 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.574 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.417 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 64.4 t80 -74.37 -43.66 55.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.126 173.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.608 ' O ' HD11 ' A' ' 51' ' ' LEU . 2.7 pp -78.31 -26.86 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.321 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.513 ' HA ' HD21 ' A' ' 51' ' ' LEU . 40.7 mm-40 -52.71 -59.62 4.25 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 166.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.75 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 17.5 ttmm -79.4 1.63 24.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.492 -166.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.755 ' O ' HD23 ' C' ' 51' ' ' LEU . 79.1 m-70 -115.42 -3.06 12.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 115.995 -2.282 . . . . 0.0 114.911 169.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.755 HD23 ' O ' ' C' ' 50' ' ' HIS . 21.9 mt -127.37 -37.5 2.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.085 0.857 . . . . 0.0 111.814 168.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -106.17 -31.21 8.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.181 0.515 . . . . 0.0 111.462 -171.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.75 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 10.6 mtmt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.998 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 121.684 0.754 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -143.19 140.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.731 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.07 165.44 14.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -67.15 -13.53 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.502 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.58 -5.55 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.428 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -101.6 4.11 40.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.23 0.538 . . . . 0.0 109.999 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 96.0 mt -125.98 -30.9 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.846 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -149.0 153.04 37.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.686 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.05 148.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.06 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.8 131.69 47.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.941 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.8 t -60.19 161.3 13.48 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.342 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.941 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 67.6 Cg_exo -44.03 -36.41 8.45 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.063 2.509 . . . . 0.0 114.271 172.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -147.19 -36.76 0.22 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -163.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.603 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 27.9 p -113.73 46.55 1.28 Allowed 'General case' 0 C--O 1.249 1.036 0 C-N-CA 117.828 -1.549 . . . . 0.0 114.209 -169.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.72 27.63 1.28 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -147.84 -28.64 0.34 Allowed 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -164.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.45 -37.17 3.55 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.476 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 92.3 19.51 38.54 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.946 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -170.42 171.17 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.1 mt -140.03 124.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 49.75 47.88 22.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.122 0.889 . . . . 0.0 111.23 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.51 6.84 51.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.686 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 151.3 65.12 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.19 129.12 32.6 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 123.17 2.58 . . . . 0.0 111.599 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 39.2 t -86.21 141.49 35.03 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.509 -170.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 72.0 Cg_exo -26.39 -59.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.056 1 C-N-CA 126.47 4.78 . . . . 0.0 116.385 -177.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.71 -2.29 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.48 0.657 . . . . 0.0 111.615 -167.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.603 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 20.2 p -131.08 88.33 2.59 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -76.14 57.66 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.291 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 93.43 41.14 4.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.504 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -117.58 -43.73 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.627 0.727 . . . . 0.0 109.431 -177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.36 -39.4 2.9 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -113.13 164.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 112.09 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.6 pt -123.66 158.14 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.901 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' NE2' ' B' ' 50' ' ' HIS . 1.5 mt -86.57 150.6 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.95 172.73 6.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.469 -1.241 . . . . 0.0 108.196 168.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.98 -43.65 66.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.98 -44.49 91.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.28 -29.72 73.3 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.599 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.9 m-85 -68.85 -36.21 77.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.419 0.152 . . . . 0.0 111.129 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 m -69.98 -34.03 72.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.274 0.559 . . . . 0.0 111.251 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.6 mp -86.02 -15.96 39.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.984 -175.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -83.91 -39.48 19.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.255 -179.48 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.33 -27.28 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.792 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 74.8 t80 -75.49 -37.58 60.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.672 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.66 HG22 HG21 ' C' ' 47' ' ' ILE . 25.7 pt -78.27 -35.34 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.524 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 18.7 mm-40 -50.72 -60.75 2.73 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.337 0.589 . . . . 0.0 109.567 171.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 25.5 ttpt -77.14 1.34 18.55 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.048 -166.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.733 ' O ' HD23 ' A' ' 51' ' ' LEU . 72.1 m-70 -115.11 -9.0 12.38 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 117.372 -1.731 . . . . 0.0 114.803 166.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 50' ' ' HIS . 33.9 mt -132.95 -24.05 1.94 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.706 1.139 . . . . 0.0 113.096 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.7 -22.09 3.96 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.046 0.45 . . . . 0.0 111.923 -174.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.74 0.781 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.89 139.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.592 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.86 166.13 13.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -67.11 -12.88 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.508 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 -6.46 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.28 3.56 40.89 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.088 0.47 . . . . 0.0 110.337 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.459 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.1 mt -125.13 -31.16 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.732 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -149.15 153.39 37.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.702 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.69 147.57 28.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.238 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.84 134.91 55.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 111.075 -177.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.682 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -64.06 163.06 25.87 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 113.621 -170.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.682 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 68.0 Cg_exo -47.09 -36.08 20.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.354 2.702 . . . . 0.0 114.268 174.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -149.52 -30.87 0.23 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -164.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 26.1 p -116.53 43.36 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -169.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.11 27.18 1.68 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -176.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -148.43 -28.07 0.31 Allowed 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -162.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.23 -36.65 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.127 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.498 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 91.34 21.47 34.92 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.695 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.48 172.25 6.1 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 123.06 0.544 . . . . 0.0 109.556 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . 0.419 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 14.7 mt -141.9 123.71 13.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 48.79 51.27 16.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.623 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.66 13.93 59.62 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.749 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.32 148.06 68.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.785 -172.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.84 129.11 32.83 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.303 2.669 . . . . 0.0 111.753 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' B' ' 29' ' ' CYS . 41.4 t -85.7 140.4 35.64 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.863 -169.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.432 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 88.8 Cg_exo -26.57 -58.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 1 C-N-CA 126.428 4.752 . . . . 0.0 116.91 -177.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.35 -2.32 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.388 0.613 . . . . 0.0 111.312 -167.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 28.4 p -130.76 89.74 2.8 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -78.59 57.98 2.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.092 0.472 . . . . 0.0 111.699 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 92.63 41.57 4.71 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.396 176.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -117.01 -43.84 2.84 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.86 -39.61 2.84 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -175.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' B' ' 11' ' ' ALA . 27.0 m -112.73 165.3 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 112.123 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.584 HG23 ' SG ' ' B' ' 12' ' ' CYS . 12.3 pt -123.66 158.07 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.459 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.509 HD21 ' NE2' ' C' ' 50' ' ' HIS . 1.6 mt -86.36 149.53 24.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.152 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -107.22 171.76 7.2 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.421 169.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.44 63.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.28 -45.86 87.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.02 -27.19 73.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.797 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.522 ' HA ' HD23 ' B' ' 44' ' ' LEU . 14.1 m-85 -68.64 -33.88 74.77 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.778 -0.248 . . . . 0.0 110.657 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.302 0.572 . . . . 0.0 110.689 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.52 ' O ' HG23 ' B' ' 47' ' ' ILE . 5.6 mp -85.67 -19.12 31.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.283 -175.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 41' ' ' TYR . 1.3 pp -81.62 -38.53 25.85 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.738 -0.601 . . . . 0.0 110.646 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.31 -28.25 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 77.7 t80 -75.17 -37.0 61.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.723 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.66 HG21 HG22 ' C' ' 47' ' ' ILE . 25.1 pt -78.56 -36.26 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.674 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 21.1 mm-40 -49.7 -60.99 2.38 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 121.361 0.601 . . . . 0.0 109.714 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.625 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 24.7 ttpt -77.0 1.17 18.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.17 -166.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.762 ' O ' HD23 ' B' ' 51' ' ' LEU . 62.1 m-70 -115.57 -8.14 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 117.373 -1.731 . . . . 0.0 114.781 167.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.762 HD23 ' O ' ' B' ' 50' ' ' HIS . 34.3 mt -133.9 -21.95 1.87 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.719 1.145 . . . . 0.0 113.07 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.94 -24.61 3.45 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.071 0.462 . . . . 0.0 111.797 -175.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.625 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 3.3 mtmm . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 121.743 0.782 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -141.36 139.63 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 168.91 10.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -69.72 -13.18 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.183 0.516 . . . . 0.0 110.478 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.52 -5.77 58.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.303 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -101.66 5.1 41.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.151 0.5 . . . . 0.0 110.077 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 96.0 mt -127.16 -31.44 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -148.85 154.45 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.623 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.34 146.54 28.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.378 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.74 134.55 54.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.052 0.453 . . . . 0.0 110.948 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.753 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -65.28 163.89 28.28 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . 0.753 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 63.2 Cg_exo -45.15 -38.14 14.0 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.302 2.668 . . . . 0.0 114.313 173.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -146.66 -31.36 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -165.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 7.2 p -115.87 42.78 2.25 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -167.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.483 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 26.48 1.98 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.608 0.718 . . . . 0.0 109.184 -177.631 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' C' ' 18' ' ' ALA . 13.4 ptp180 -148.14 -23.71 0.35 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -163.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -122.97 -37.93 2.67 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.978 -174.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . 0.543 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 89.69 21.45 40.09 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.375 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.23 172.55 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . 0.43 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 14.5 mt -142.38 124.95 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 48.48 49.85 17.67 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 124.337 1.023 . . . . 0.0 111.028 -173.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.15 13.71 60.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.64 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.01 148.09 68.21 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.73 129.06 32.61 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.199 2.599 . . . . 0.0 111.368 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.7 t -87.12 142.09 33.47 Favored Pre-proline 0 C--N 1.313 -1.005 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.701 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . 0.65 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 79.0 Cg_exo -28.02 -59.02 0.1 Allowed 'Trans proline' 0 C--N 1.364 1.361 1 C-N-CA 126.573 4.849 . . . . 0.0 116.675 -176.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.53 -1.79 6.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.558 0.694 . . . . 0.0 111.365 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 30.5 p -130.25 86.98 2.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.247 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -77.09 57.24 1.36 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.033 0.444 . . . . 0.0 111.867 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 93.88 43.12 3.94 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.679 176.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -119.08 -43.97 2.62 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.442 0.639 . . . . 0.0 109.62 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.84 -39.24 2.94 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -113.39 165.12 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.08 0.467 . . . . 0.0 112.067 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.599 HG23 ' SG ' ' C' ' 12' ' ' CYS . 10.7 pt -123.82 158.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.42 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.508 HD21 ' NE2' ' A' ' 50' ' ' HIS . 1.6 mt -86.88 149.56 24.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.153 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.89 171.68 7.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.25 169.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.95 63.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -173.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.62 -47.23 82.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.283 . . . . 0.0 110.983 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -27.8 73.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.85 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.506 ' HA ' HD23 ' C' ' 44' ' ' LEU . 12.9 m-85 -68.91 -34.39 75.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.494 0.188 . . . . 0.0 110.755 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -72.96 -33.13 65.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.401 0.619 . . . . 0.0 110.728 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.8 mp -85.5 -19.79 30.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.295 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' C' ' 41' ' ' TYR . 1.2 pp -80.37 -38.63 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.449 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.6 -28.0 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 111.012 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 74.1 t80 -75.22 -37.85 60.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.703 177.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.66 HG22 HG21 ' B' ' 47' ' ' ILE . 25.9 pt -78.22 -34.53 18.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.79 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.535 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 19.8 mm-40 -51.49 -60.51 3.06 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.51 171.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.62 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 24.7 ttpt -77.45 0.89 20.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.705 -1.134 . . . . 0.0 112.249 -165.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.718 ' O ' HD23 ' C' ' 51' ' ' LEU . 67.9 m-70 -115.04 -8.54 12.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 117.38 -1.728 . . . . 0.0 114.634 167.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.718 HD23 ' O ' ' C' ' 50' ' ' HIS . 33.2 mt -132.05 -27.68 1.81 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.597 1.09 . . . . 0.0 112.921 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.67 -22.87 5.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.184 0.516 . . . . 0.0 111.849 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.62 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.315 -0.915 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 121.739 0.781 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -152.56 134.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.559 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.87 162.46 19.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.1 m -58.03 -28.72 64.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.439 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.64 -1.96 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -168.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.06 -21.5 14.44 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.194 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.84 -18.67 11.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.3 . . . . 0.0 111.395 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' B' ' 49' ' ' LYS . 52.2 mt-10 -130.18 133.44 46.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.284 0.564 . . . . 0.0 109.608 176.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.09 139.93 50.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.639 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -65.32 138.24 58.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 35' ' ' ILE . 7.6 m -56.69 167.44 1.02 Allowed Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.87 -36.89 54.26 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.024 2.483 . . . . 0.0 112.7 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -146.99 -30.77 0.34 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -166.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 26.3 p -115.42 42.21 2.3 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.639 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 31.29 1.04 Allowed 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 18' ' ' ALA . 15.9 ptm180 -146.93 -27.66 0.39 Allowed 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -165.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -134.94 -28.96 1.16 Allowed 'General case' 0 C--N 1.339 0.135 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.277 -172.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.03 24.03 53.6 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.236 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -146.67 159.8 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.786 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mm -124.05 101.86 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 62.74 51.27 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.614 0.571 . . . . 0.0 111.621 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.65 9.06 11.25 Favored Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.622 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.9 145.86 38.83 Favored Pre-proline 0 N--CA 1.437 -1.089 0 CA-C-N 115.633 -0.283 . . . . 0.0 110.583 -174.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 128.62 31.0 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.265 2.643 . . . . 0.0 112.065 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 52.1 t -84.68 136.12 39.72 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.841 -170.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.1 Cg_exo -28.43 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.086 1 C-N-CA 126.456 4.771 . . . . 0.0 116.83 -176.406 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.93 0.49 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -163.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 26.1 p -123.8 -13.97 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.172 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m 40.57 38.89 0.65 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.14 43.5 4.06 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 119.933 -1.127 . . . . 0.0 113.406 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 48.6 mtmt -126.13 -36.64 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.379 . . . . 0.0 110.163 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 113.95 -38.81 3.03 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.459 -0.657 . . . . 0.0 111.459 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 11' ' ' ALA . 34.2 m -119.26 167.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 0.0 112.013 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' A' ' 12' ' ' CYS . 21.8 pt -130.48 167.75 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.733 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 1.7 mp -87.51 163.95 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.416 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 63.2 p -105.92 177.08 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.111 170.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.02 -44.68 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.595 0.634 . . . . 0.0 111.844 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -58.95 -43.3 91.26 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.765 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.52 76.56 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.893 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.649 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.1 m-85 -70.72 -33.22 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.903 -0.175 . . . . 0.0 111.455 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -69.24 -33.4 73.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.494 0.664 . . . . 0.0 110.225 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -85.78 -16.15 39.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.439 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.77 -41.69 20.82 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.183 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.91 -23.13 62.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 110.584 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.536 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 60.5 t80 -75.38 -40.92 57.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.241 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.632 HG22 HG21 ' C' ' 47' ' ' ILE . 19.0 pt -80.01 -25.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.562 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 85.8 mm-40 -58.41 -59.43 5.37 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 165.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HG2' ' HD2' ' C' ' 32' ' ' LYS . 28.0 ttmt -78.57 -4.37 48.45 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.311 -164.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -117.67 -1.05 11.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 117.741 -1.584 . . . . 0.0 114.09 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -118.84 -51.23 2.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.414 0.626 . . . . 0.0 111.03 170.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.96 -28.52 9.54 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.51 -166.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 19.9 mtmt . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.075 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.665 0.745 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -152.92 134.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.693 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.01 163.3 18.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.773 0.32 . . . . 0.0 111.198 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -58.53 -29.54 66.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.48 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.31 0.17 42.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -168.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.75 -22.81 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.148 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.17 -18.42 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.468 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' C' ' 49' ' ' LYS . 54.0 mt-10 -130.15 133.23 46.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.408 0.623 . . . . 0.0 109.68 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.55 139.35 51.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.851 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.619 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.61 137.64 57.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' B' ' 35' ' ' ILE . 15.0 m -55.6 167.85 0.71 Allowed Pre-proline 0 N--CA 1.464 0.233 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -172.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -52.78 -32.45 55.89 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.312 2.675 . . . . 0.0 113.037 171.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -150.82 -30.18 0.19 Allowed 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' B' ' 26' ' ' CYS . 24.1 p -114.86 41.97 2.27 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.619 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.18 31.57 0.99 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -148.17 -28.98 0.32 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -165.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.06 -29.98 1.24 Allowed 'General case' 0 C--N 1.341 0.232 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.73 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 21.56 53.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.063 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.8 pt-20 -145.81 161.12 40.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.916 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -124.98 101.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.63 51.14 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.697 0.623 . . . . 0.0 111.668 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 8.9 10.77 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.729 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.81 146.08 39.24 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.746 -0.227 . . . . 0.0 110.408 -174.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.81 128.35 29.93 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.223 2.615 . . . . 0.0 112.14 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 49.1 t -84.1 134.49 43.48 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.548 -170.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.2 Cg_exo -27.66 -57.27 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.838 1 C-N-CA 126.383 4.722 . . . . 0.0 117.009 -175.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.04 0.14 5.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 -163.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 25.6 p -124.07 -12.96 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.138 -1.025 . . . . 0.0 112.414 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 40.36 39.06 0.63 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.93 45.55 3.58 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.427 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.535 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 45.6 mtmt -128.16 -36.32 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.819 0.342 . . . . 0.0 110.271 179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.63 -38.71 3.09 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -119.75 166.33 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.473 . . . . 0.0 112.131 -175.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.461 HG23 ' SG ' ' B' ' 12' ' ' CYS . 25.7 pt -129.71 168.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.728 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 1.9 mp -87.25 165.04 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.604 0.716 . . . . 0.0 112.869 -174.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.413 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.4 p -106.22 177.15 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.07 170.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.18 -44.78 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.485 0.584 . . . . 0.0 111.675 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -58.8 -42.83 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.658 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -30.65 75.99 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.844 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . 0.635 ' HA ' HD23 ' B' ' 44' ' ' LEU . 9.4 m-85 -70.76 -33.09 70.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.877 -0.19 . . . . 0.0 111.426 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.7 m -69.12 -33.38 73.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.673 . . . . 0.0 110.262 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.84 -16.2 39.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.635 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.85 -41.79 20.52 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.298 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -71.11 -22.55 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.62 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 61.3 t80 -75.44 -41.61 55.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.314 174.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.615 HG22 HG21 ' A' ' 47' ' ' ILE . 18.5 pt -79.97 -26.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.489 -177.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.4 mm-40 -58.04 -59.4 5.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.297 0.57 . . . . 0.0 109.482 165.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' HG2' ' HD2' ' A' ' 32' ' ' LYS . 27.4 ttmt -78.08 -4.53 47.8 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.235 -164.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -117.45 -1.04 11.79 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 117.855 -1.538 . . . . 0.0 114.476 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.444 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -120.07 -47.4 2.38 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.36 0.6 . . . . 0.0 111.41 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.01 -30.11 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.305 -167.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.722 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.812 0.815 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -153.05 134.46 5.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 161.93 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.4 m -57.22 -29.25 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.637 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -81.99 -0.78 45.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -169.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -101.71 -22.58 14.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.02 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.03 -18.85 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.665 0.269 . . . . 0.0 111.529 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . 0.493 ' OE2' ' HD2' ' A' ' 49' ' ' LYS . 52.9 mt-10 -130.55 132.42 45.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.381 0.61 . . . . 0.0 109.784 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.68 140.38 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . 0.661 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.24 137.5 57.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.599 -178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' C' ' 35' ' ' ILE . 1.5 m -55.36 167.58 0.7 Allowed Pre-proline 0 C--N 1.332 -0.169 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.71 -32.87 57.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.938 2.425 . . . . 0.0 112.925 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -150.49 -30.22 0.2 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -167.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' C' ' 29' ' ' CYS . 29.1 p -116.07 44.03 2.02 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . 0.661 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 31.46 1.03 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -147.72 -28.59 0.34 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -164.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.04 -28.9 1.32 Allowed 'General case' 0 C--N 1.342 0.248 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.519 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.22 22.95 53.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.128 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 5.4 pt-20 -146.75 160.2 42.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.064 0.459 . . . . 0.0 110.839 -175.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -124.36 101.91 9.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 63.21 50.98 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.632 0.582 . . . . 0.0 111.439 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.37 9.17 10.96 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 119.951 -1.119 . . . . 0.0 112.877 -176.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.87 147.31 42.1 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-O 120.562 0.22 . . . . 0.0 110.822 -174.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -55.83 128.09 28.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.149 2.566 . . . . 0.0 111.927 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' CYS . . . . . 0.436 ' HG ' ' HG ' ' C' ' 15' ' ' CYS . 44.7 t -83.27 136.12 43.62 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -171.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -28.63 -58.56 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 126.238 4.626 . . . . 0.0 116.628 -177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 1.05 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -164.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' C' ' 15' ' ' CYS . 31.4 p -123.65 -12.65 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.425 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m 38.47 38.82 0.26 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.73 42.69 4.39 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 119.967 -1.111 . . . . 0.0 113.383 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.506 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 48.1 mtmt -125.52 -35.36 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.302 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.97 -39.23 2.92 Favored Glycine 0 N--CA 1.435 -1.406 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.64 166.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.971 -175.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.4 HG23 ' SG ' ' C' ' 12' ' ' CYS . 24.9 pt -129.8 168.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.61 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.536 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 1.8 mp -87.26 164.79 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.784 0.802 . . . . 0.0 112.818 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.5 p -106.22 175.94 5.33 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.105 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.71 -45.15 77.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.437 0.562 . . . . 0.0 111.941 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -58.93 -42.54 90.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.739 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.77 -31.09 77.34 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.807 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' TYR . . . . . 0.657 ' HA ' HD23 ' C' ' 44' ' ' LEU . 9.7 m-85 -70.39 -32.61 70.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.959 -0.142 . . . . 0.0 111.276 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 45.0 m -69.85 -33.76 72.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.421 0.629 . . . . 0.0 110.349 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.46 -17.4 36.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.217 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -80.27 -42.3 23.39 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.799 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.08 -23.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.0 110.739 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' PHE . . . . . 0.515 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 62.5 t80 -75.39 -41.6 55.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.226 174.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 47' ' ' ILE . 19.6 pt -79.9 -25.71 12.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.433 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.2 mm-40 -58.66 -58.81 6.94 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 165.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' LYS . . . . . 0.535 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 28.9 ttmt -78.42 -4.57 48.95 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.193 -164.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' HIS . . . . . 0.409 ' NE2' ' OE2' ' B' ' 9' ' ' GLU . 95.2 m-70 -117.58 -0.78 11.79 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 118.05 -1.46 . . . . 0.0 114.297 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.436 HD21 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -120.21 -47.21 2.38 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.453 0.644 . . . . 0.0 111.467 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.7 -29.26 7.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.405 -166.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' C' ' 49' ' ' LYS . 17.9 mtmt . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.623 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -104.73 -13.76 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.355 0.598 . . . . 0.0 110.272 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -113.77 131.35 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.96 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.93 150.0 43.51 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.055 177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.17 -15.15 55.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.515 -175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.07 -6.95 59.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.76 -174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.26 -10.41 17.88 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.159 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CD2' HD22 ' A' ' 43' ' ' LEU . 6.2 mp -119.39 -23.05 6.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.84 0.352 . . . . 0.0 111.02 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -130.05 130.34 44.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -125.42 139.77 50.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.669 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.65 131.97 49.64 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.065 0.46 . . . . 0.0 110.838 -176.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.85 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.62 165.91 5.04 Favored Pre-proline 0 CA--C 1.539 0.54 0 C-N-CA 124.132 0.973 . . . . 0.0 112.676 -170.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.85 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 62.2 Cg_exo -46.45 -34.7 15.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.201 2.601 . . . . 0.0 114.291 175.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -148.54 -31.88 0.25 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -165.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.3 p -116.74 45.66 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.669 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.94 28.64 1.52 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -147.77 -21.32 0.36 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -165.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.17 -31.81 0.81 Allowed 'General case' 0 C--N 1.346 0.451 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.904 -174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.95 26.46 37.42 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.652 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.575 ' O ' HG12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -135.06 -156.64 0.74 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 122.571 0.348 . . . . 0.0 110.131 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.647 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.0 mm -174.93 95.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.378 -2.452 . . . . 0.0 104.378 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 59.88 48.02 9.41 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.53 0.519 . . . . 0.0 110.517 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.63 1.57 17.32 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 120.458 -0.877 . . . . 0.0 113.012 -177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -119.26 146.19 40.2 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-N 114.66 -0.77 . . . . 0.0 111.042 -168.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 24' ' ' THR . 19.1 Cg_endo -54.14 120.5 8.06 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.488 2.792 . . . . 0.0 112.821 -176.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 45.0 t -69.94 136.19 87.44 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' HG13 ' A' ' 21' ' ' ILE . 57.2 Cg_exo -34.76 -58.62 0.37 Allowed 'Trans proline' 0 C--N 1.355 0.909 1 C-N-CA 125.746 4.297 . . . . 0.0 116.135 -178.039 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.57 -7.47 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -163.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 19.9 p -130.16 92.97 3.38 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 p -68.12 51.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.44 46.49 3.23 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.441 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HG2' ' HG2' ' B' ' 49' ' ' LYS . 2.1 mppt? -121.34 -35.87 3.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.155 0.502 . . . . 0.0 109.774 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 110.73 -38.93 3.08 Favored Glycine 0 N--CA 1.437 -1.274 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 11' ' ' ALA . 30.7 m -112.06 161.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.966 0.412 . . . . 0.0 111.238 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.1 pt -124.33 161.89 26.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.848 174.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.475 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -89.91 164.36 14.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.646 0.736 . . . . 0.0 112.635 -172.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.06 -178.28 3.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.451 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.43 98.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 118.631 0.65 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -60.72 -44.04 97.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.642 173.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.25 -32.05 78.9 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.67 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.574 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.2 m-85 -70.51 -31.83 69.08 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.067 0.147 . . . . 0.0 111.222 177.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -70.3 -30.34 67.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.288 0.566 . . . . 0.0 109.937 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.2 mp -86.52 -24.91 25.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.486 -178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -78.87 -41.81 28.96 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -176.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.7 -22.78 61.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.384 0.611 . . . . 0.0 110.355 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 51.3 t80 -74.79 -40.34 61.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.57 174.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.723 HG22 HG21 ' C' ' 47' ' ' ILE . 24.0 pt -78.11 -34.3 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.085 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' HB2' ' A' ' 53' ' ' LYS . 44.2 mm-40 -50.38 -64.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.719 170.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -77.23 -0.33 24.83 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.012 -162.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.687 ' O ' HD23 ' A' ' 51' ' ' LEU . 28.0 m80 -115.73 -5.27 12.12 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 117.67 -1.612 . . . . 0.0 113.517 168.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -127.89 -47.96 1.37 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 118.545 0.611 . . . . 0.0 111.998 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -105.88 -23.55 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.944 0.402 . . . . 0.0 112.003 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.613 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 7.5 mtmt . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.033 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -105.18 -16.37 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.345 0.593 . . . . 0.0 110.318 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.1 tt -111.78 131.58 62.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.911 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.91 151.82 41.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.068 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -65.68 -14.15 60.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.26 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.54 -8.04 59.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.565 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -103.36 -11.8 17.65 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.309 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.439 ' CD2' HD22 ' B' ' 43' ' ' LEU . 6.2 mp -118.26 -22.54 7.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.87 130.47 43.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.14 174.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.69 140.08 49.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.668 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.79 132.46 50.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.121 0.486 . . . . 0.0 110.824 -177.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.861 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.45 166.08 6.06 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.764 -169.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.861 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 60.6 Cg_exo -46.63 -35.41 16.99 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.002 2.468 . . . . 0.0 114.165 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -148.69 -29.71 0.28 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -166.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.749 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 8.2 p -115.76 43.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -167.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.668 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 28.74 1.42 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -148.81 -24.0 0.31 Allowed 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 -165.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.33 -31.08 0.9 Allowed 'General case' 0 C--N 1.342 0.243 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.621 -173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.36 25.37 39.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.425 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -142.04 163.87 31.7 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.424 0.63 . . . . 0.0 111.116 -177.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.621 ' O ' ' HB ' ' B' ' 24' ' ' THR . 34.9 mm -125.23 103.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 169.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 62.37 49.39 4.2 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 123.704 0.627 . . . . 0.0 110.779 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.88 3.49 22.45 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.842 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -120.61 143.86 37.28 Favored Pre-proline 0 C--N 1.303 -1.454 0 CA-C-N 114.476 -0.862 . . . . 0.0 111.245 -167.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -53.38 124.78 16.54 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.191 2.594 . . . . 0.0 112.322 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.458 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 42.0 t -77.59 138.37 62.91 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.317 -0.856 . . . . 0.0 113.032 -171.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 64.3 Cg_exo -34.7 -59.4 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.972 1 C-N-CA 125.573 4.182 . . . . 0.0 116.056 -177.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.19 -7.37 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.833 -163.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.4 p -130.21 94.01 3.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.4 53.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.63 41.67 4.38 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.617 172.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.501 ' HG2' ' HG2' ' C' ' 49' ' ' LYS . 2.3 mppt? -117.18 -35.64 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.514 . . . . 0.0 109.719 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 110.29 -38.93 3.08 Favored Glycine 0 N--CA 1.438 -1.209 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.7 m -111.15 161.43 9.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.993 0.425 . . . . 0.0 111.108 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -124.48 161.63 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.744 174.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.491 HD22 HD23 ' B' ' 44' ' ' LEU . 4.2 mp -88.98 164.37 15.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.513 0.673 . . . . 0.0 112.703 -172.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -105.19 -178.5 3.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.757 -1.11 . . . . 0.0 108.434 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.51 98.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.724 0.693 . . . . 0.0 110.536 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -60.41 -43.94 96.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.701 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.426 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -67.14 -31.8 78.6 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.703 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.553 ' HA ' HD23 ' B' ' 44' ' ' LEU . 3.3 m-85 -70.43 -32.01 69.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.92 -0.14 . . . . 0.0 111.211 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -69.96 -30.6 68.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.3 0.572 . . . . 0.0 109.988 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.4 mp -86.58 -24.34 25.44 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.479 -178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -79.02 -41.9 27.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.419 -0.512 . . . . 0.0 109.623 -176.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -71.87 -22.63 61.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.311 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.44 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 51.5 t80 -74.66 -40.41 61.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.5 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.702 HG21 HG22 ' C' ' 47' ' ' ILE . 25.0 pt -78.21 -34.35 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 C-N-CA 119.202 -0.999 . . . . 0.0 110.001 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.413 ' C ' ' HB2' ' B' ' 53' ' ' LYS . 47.7 mm-40 -50.38 -63.73 1.03 Allowed 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.351 0.596 . . . . 0.0 109.423 170.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.558 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 0.5 OUTLIER -76.98 -2.03 31.75 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.846 -1.07 . . . . 0.0 113.138 -162.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.662 ' O ' HD23 ' B' ' 51' ' ' LEU . 28.8 m80 -115.47 -4.86 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 117.432 -1.707 . . . . 0.0 113.451 169.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.662 HD23 ' O ' ' B' ' 50' ' ' HIS . 13.7 mt -128.35 -47.61 1.31 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.343 0.519 . . . . 0.0 112.034 176.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.76 -21.67 12.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -172.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.558 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.8 mtmt . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.447 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.24 -16.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.25 0.548 . . . . 0.0 110.446 -177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.5 131.58 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.959 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.99 150.49 42.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.044 177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -63.19 -15.77 58.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.624 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.52 -7.36 59.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.657 -174.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.06 -10.67 17.87 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.272 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.44 ' CD2' HD22 ' C' ' 43' ' ' LEU . 6.2 mp -119.18 -23.11 6.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -130.08 130.51 44.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.67 140.15 49.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.643 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.06 132.82 51.69 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.162 0.506 . . . . 0.0 110.495 -176.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.629 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.24 168.28 4.13 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.284 -0.871 . . . . 0.0 113.245 -169.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.629 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 72.7 Cg_exo -47.3 -37.29 24.32 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.097 2.532 . . . . 0.0 113.701 175.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -147.53 -29.94 0.33 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -166.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.722 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 6.2 p -114.06 41.96 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -166.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.643 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.02 27.89 1.51 Allowed 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -178.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.421 ' H ' ' H ' ' C' ' 18' ' ' ALA . 17.1 ptp180 -148.08 -22.77 0.35 Allowed 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -165.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -137.83 -30.37 0.82 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.582 -173.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.04 26.75 39.72 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.526 -0.845 . . . . 0.0 113.442 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.722 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.0 OUTLIER -143.46 163.45 33.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.382 0.611 . . . . 0.0 110.991 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.659 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.4 mm -125.43 101.98 9.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 63.21 50.95 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.788 0.68 . . . . 0.0 110.553 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.71 6.28 22.49 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.935 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.4 m -122.93 143.24 40.03 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 114.529 -0.836 . . . . 0.0 111.521 -168.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.47 126.09 20.63 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.427 2.751 . . . . 0.0 112.288 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 51.3 t -80.1 138.64 52.85 Favored Pre-proline 0 N--CA 1.448 -0.53 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -170.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.516 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 55.4 Cg_exo -34.09 -59.37 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 1 C-N-CA 125.892 4.394 . . . . 0.0 115.961 -177.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.78 -7.06 7.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.574 -165.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.435 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 21.3 p -128.92 92.05 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -69.58 53.75 0.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.75 43.52 4.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.379 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -118.75 -35.66 3.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.173 0.511 . . . . 0.0 109.859 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 110.9 -38.6 3.23 Favored Glycine 0 N--CA 1.438 -1.206 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' C' ' 11' ' ' ALA . 30.8 m -112.22 162.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 -178.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.512 HG23 ' SG ' ' C' ' 12' ' ' CYS . 13.2 pt -124.67 162.14 27.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.91 174.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.468 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -89.27 164.11 15.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.439 0.638 . . . . 0.0 112.503 -173.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.0 p -105.14 -178.82 3.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.413 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.77 96.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.733 0.697 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -60.09 -45.02 94.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 173.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.95 -31.78 80.59 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.668 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.565 ' HA ' HD23 ' C' ' 44' ' ' LEU . 3.2 m-85 -70.57 -32.31 69.66 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 122.079 0.151 . . . . 0.0 111.173 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -70.01 -30.49 67.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.224 0.535 . . . . 0.0 110.116 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.594 ' O ' HG23 ' C' ' 47' ' ' ILE . 7.4 mp -86.32 -24.69 25.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.45 -178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -78.51 -42.16 30.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -71.61 -23.11 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.426 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 50.3 t80 -74.45 -40.79 61.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.632 174.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.723 HG21 HG22 ' A' ' 47' ' ' ILE . 24.4 pt -77.82 -33.55 18.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.988 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -51.18 -63.48 1.12 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 170.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.556 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 0.7 OUTLIER -77.14 -2.18 33.01 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.878 -1.056 . . . . 0.0 112.96 -162.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.695 ' O ' HD23 ' C' ' 51' ' ' LEU . 29.7 m80 -115.43 -4.86 12.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 117.391 -1.724 . . . . 0.0 113.464 169.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.695 HD23 ' O ' ' C' ' 50' ' ' HIS . 13.3 mt -128.7 -47.38 1.27 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.269 0.486 . . . . 0.0 112.183 176.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -106.61 -21.89 12.92 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.556 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.6 mtmt . . . . . 0 C--N 1.319 -0.726 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.502 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.89 -9.97 9.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.482 0.658 . . . . 0.0 110.143 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -112.67 136.94 47.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.506 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.17 146.59 49.9 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.543 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -62.36 -16.36 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.525 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.2 -4.17 56.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.335 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.75 -16.08 16.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.778 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -114.33 -16.08 12.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.029 0.442 . . . . 0.0 110.728 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.568 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 44.9 mt-10 -138.36 135.4 35.31 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.321 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 144.23 37.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 -175.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.622 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.84 130.47 44.28 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.107 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.871 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 40.5 t -60.0 155.28 44.67 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.876 -168.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.871 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 57.4 Cg_exo -42.12 -25.5 0.41 Allowed 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 124.168 3.245 . . . . 0.0 115.505 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' HG23 ' A' ' 21' ' ' ILE . 59.0 tttp -153.97 -34.71 0.1 Allowed 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -168.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -117.62 45.27 1.97 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -166.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.622 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.45 29.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.917 0.865 . . . . 0.0 108.798 -175.773 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -148.85 -29.6 0.27 Allowed 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -162.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.57 -38.79 2.49 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.607 -172.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.28 17.19 37.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 119.972 -1.109 . . . . 0.0 112.877 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -157.84 166.43 32.72 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -177.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 24' ' ' THR . 36.2 mt -141.44 126.37 17.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 54.28 42.32 31.54 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 123.708 0.63 . . . . 0.0 110.741 -176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.48 -2.56 21.25 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.845 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.633 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 1.1 t -120.32 160.3 44.18 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 117.678 0.739 . . . . 0.0 111.699 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 14.4 Cg_endo -54.11 136.88 69.04 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.871 2.381 . . . . 0.0 112.035 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.0 t -87.55 140.14 31.74 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.6 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -26.5 -52.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 1 C-N-CA 126.068 4.512 . . . . 0.0 116.34 -177.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.31 -1.27 4.5 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -168.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' HA ' ' HD3' ' A' ' 32' ' ' LYS . 25.3 p -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.053 0.454 . . . . 0.0 110.251 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -85.78 58.43 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 89.69 48.68 3.6 Favored Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.31 -0.948 . . . . 0.0 111.185 175.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 14.2 mtpp -122.61 -40.37 2.46 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -172.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.27 -40.39 2.55 Favored Glycine 0 N--CA 1.434 -1.491 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.0 167.75 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.139 0.495 . . . . 0.0 112.136 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.3 pt -130.58 163.85 35.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.922 173.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD22 HD23 ' A' ' 44' ' ' LEU . 4.9 mp -88.04 163.9 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -172.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 59.7 p -106.21 174.96 5.66 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 114.431 -1.259 . . . . 0.0 108.172 172.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.69 -45.04 82.02 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.884 0.765 . . . . 0.0 111.093 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -52.25 -52.49 52.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.49 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.86 -30.81 78.97 Favored Glycine 0 CA--C 1.521 0.462 0 CA-C-N 116.019 -0.537 . . . . 0.0 113.34 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.8 m-85 -69.29 -33.31 73.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.078 0.439 . . . . 0.0 111.146 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -69.43 -30.68 68.67 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.722 0.772 . . . . 0.0 109.915 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.23 -12.74 45.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.509 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -84.97 -44.04 13.46 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.026 -0.669 . . . . 0.0 110.067 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -71.23 -23.31 61.98 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.177 0.513 . . . . 0.0 110.099 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.6 -43.22 60.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.055 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.682 HG21 HG22 ' B' ' 47' ' ' ILE . 21.4 pt -79.36 -28.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.918 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.537 ' HA ' HD11 ' B' ' 51' ' ' LEU . 20.3 mm-40 -58.12 -52.36 65.87 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 169.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.671 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 19.7 ttpt -79.32 -3.41 45.99 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.968 -167.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.432 ' HB2' HD11 ' C' ' 47' ' ' ILE . 26.3 m80 -117.57 -0.76 11.8 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 116.938 -1.905 . . . . 0.0 113.823 168.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.7 mm? -116.15 -29.51 6.25 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.148 0.499 . . . . 0.0 111.17 173.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.462 HD22 HD12 ' B' ' 51' ' ' LEU . 2.2 m-80 -136.74 -30.68 0.88 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.312 -164.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.671 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 16.3 mtmt . . . . . 0 C--O 1.247 0.968 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.24 -7.55 10.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.423 0.63 . . . . 0.0 110.248 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 tt -115.91 136.73 51.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 146.38 49.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.302 171.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -61.58 -16.06 44.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.613 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.13 -4.64 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.426 -175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -103.11 -15.66 15.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.031 0.443 . . . . 0.0 110.741 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.1 -15.88 12.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.097 0.475 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.534 ' OE1' ' HE3' ' C' ' 49' ' ' LYS . 45.0 mt-10 -138.35 137.83 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.274 175.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.77 145.25 35.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.604 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.47 131.19 46.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.268 0.556 . . . . 0.0 109.982 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.899 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 14.3 t -58.61 155.86 26.97 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.064 -169.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.899 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 57.6 Cg_exo -42.56 -26.49 0.62 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.278 3.319 . . . . 0.0 115.014 177.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.432 ' HD3' HG23 ' B' ' 21' ' ' ILE . 55.8 tttp -153.75 -33.56 0.11 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -169.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.81 46.46 1.64 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -167.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.604 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.3 28.92 1.33 Allowed 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -176.303 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -148.92 -29.26 0.27 Allowed 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -163.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -36.84 2.75 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.563 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.419 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.99 18.81 38.62 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.406 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -158.19 166.12 33.21 Favored 'General case' 0 CA--C 1.502 -0.888 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.609 ' O ' HG22 ' B' ' 24' ' ' THR . 30.9 mt -142.18 126.45 16.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 54.45 42.05 31.6 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 123.896 0.747 . . . . 0.0 110.619 -176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.84 -1.84 28.55 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.954 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.609 HG22 ' O ' ' B' ' 21' ' ' ILE . 2.8 t -121.08 158.16 53.42 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 117.374 0.587 . . . . 0.0 111.556 -172.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.599 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 13.5 Cg_endo -53.95 133.59 55.57 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.844 2.363 . . . . 0.0 111.681 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.419 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 32.3 t -85.22 141.84 37.6 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.54 -170.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.419 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 62.5 Cg_exo -26.69 -51.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.356 0.969 1 C-N-CA 126.206 4.604 . . . . 0.0 116.683 -177.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -1.62 3.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -169.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' B' ' 32' ' ' LYS . 19.9 p -136.7 100.64 4.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -82.08 58.28 3.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.211 -176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.419 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 89.67 47.86 3.85 Favored Glycine 0 CA--C 1.505 -0.534 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.172 174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 14.6 mtpp -121.54 -40.75 2.53 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -171.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.83 -39.88 2.71 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.49 168.36 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.207 0.527 . . . . 0.0 112.098 -176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 pt -130.81 163.94 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.801 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.434 HD22 HD23 ' B' ' 44' ' ' LEU . 4.8 mp -87.94 163.96 16.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -172.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.432 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 44.8 p -106.18 174.9 5.69 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.178 172.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.98 76.37 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.826 0.739 . . . . 0.0 111.303 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -51.89 -52.98 45.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.536 172.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.24 -30.96 79.29 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 113.235 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.602 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.1 m-85 -69.4 -33.2 72.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 117.128 0.464 . . . . 0.0 111.188 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -69.18 -31.04 69.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.763 0.792 . . . . 0.0 109.983 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -87.13 -12.79 46.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.528 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -84.91 -44.16 13.42 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.041 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.26 -23.1 61.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.07 0.462 . . . . 0.0 110.117 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -73.79 -43.59 58.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.073 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.682 HG22 HG21 ' A' ' 47' ' ' ILE . 21.3 pt -79.26 -28.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.844 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.537 ' HA ' HD11 ' C' ' 51' ' ' LEU . 21.2 mm-40 -58.16 -52.0 67.38 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.691 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 21.0 ttpt -79.63 -3.33 46.66 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.971 -167.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' A' ' 47' ' ' ILE . 26.2 m80 -117.5 -0.75 11.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 116.928 -1.909 . . . . 0.0 113.847 168.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.8 mm? -116.11 -29.43 6.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.287 0.565 . . . . 0.0 111.032 173.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.479 ' ND2' HD12 ' C' ' 51' ' ' LEU . 2.2 m-80 -136.44 -31.15 0.89 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.07 -164.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.691 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 16.1 mtmt . . . . . 0 C--O 1.249 1.066 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 p -105.54 -9.73 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.299 0.571 . . . . 0.0 110.294 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -113.31 137.74 45.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.8 146.65 50.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.655 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.14 -16.39 43.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.582 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.89 -4.7 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.536 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -102.76 -16.43 15.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.98 0.419 . . . . 0.0 110.644 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.401 ' HA ' ' OG1' ' C' ' 37' ' ' THR . 7.3 mp -114.05 -16.05 12.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 45.2 mt-10 -137.68 138.02 38.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.066 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.8 p -128.85 145.11 36.21 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.645 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.24 130.7 44.93 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.85 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.895 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 16.5 t -58.94 154.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.069 -0.968 . . . . 0.0 112.093 -169.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.895 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 49.3 Cg_exo -41.41 -26.58 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 124.415 3.41 . . . . 0.0 115.32 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . 0.414 ' HD3' HG23 ' C' ' 21' ' ' ILE . 57.4 tttp -153.25 -34.32 0.11 Allowed 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -168.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.492 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 17.0 p -117.9 45.27 2.0 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -165.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.645 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.99 29.03 1.43 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -175.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -148.74 -27.24 0.3 Allowed 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -163.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.77 -35.36 2.31 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 114.898 -1.047 . . . . 0.0 112.897 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.453 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 92.69 17.28 45.54 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.569 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.87 164.64 37.84 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.599 ' O ' HG22 ' C' ' 24' ' ' THR . 33.5 mt -141.53 126.03 17.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 54.46 43.63 30.05 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.895 0.747 . . . . 0.0 111.064 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.73 -0.1 22.33 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.938 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 2.9 t -122.74 158.99 55.28 Favored Pre-proline 0 C--O 1.239 0.535 0 CA-C-N 117.507 0.654 . . . . 0.0 111.511 -173.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 12.9 Cg_endo -53.11 136.44 61.49 Favored 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.975 2.45 . . . . 0.0 111.622 174.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 15.3 t -88.66 141.24 29.98 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.287 -170.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -25.48 -51.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.064 1 C-N-CA 126.271 4.647 . . . . 0.0 116.615 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.39 -1.23 3.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' C' ' 32' ' ' LYS . 20.0 p -137.02 100.68 4.35 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.532 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -80.47 57.94 3.01 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.142 -176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.41 48.93 3.84 Favored Glycine 0 CA--C 1.504 -0.645 0 C-N-CA 120.166 -1.016 . . . . 0.0 111.156 175.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 15.0 mtpp -121.21 -41.35 2.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -172.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.52 -40.12 2.61 Favored Glycine 0 N--CA 1.434 -1.481 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -123.42 167.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.224 0.535 . . . . 0.0 112.152 -175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 pt -130.14 164.14 33.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.787 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.428 HD22 HD23 ' C' ' 44' ' ' LEU . 4.8 mp -88.2 163.81 15.96 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -172.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . 0.443 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 68.3 p -106.0 175.58 5.45 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 114.41 -1.268 . . . . 0.0 108.25 172.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.2 -45.19 84.01 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.018 0.826 . . . . 0.0 111.054 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -51.91 -52.85 47.09 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.481 172.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.49 -31.12 79.82 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.307 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.579 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.1 m-85 -69.35 -33.04 72.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.109 0.455 . . . . 0.0 111.165 -178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -69.71 -30.72 68.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.633 0.73 . . . . 0.0 110.068 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.404 ' O ' HG23 ' C' ' 47' ' ' ILE . 4.2 mp -87.06 -13.21 44.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.576 -177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.579 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -84.22 -44.4 13.95 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.976 -179.518 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.21 -23.03 61.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.108 0.48 . . . . 0.0 110.118 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -73.81 -43.46 58.73 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.144 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.661 HG21 HG22 ' A' ' 47' ' ' ILE . 21.4 pt -79.36 -28.91 13.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 119.741 -0.783 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.528 ' HA ' HD11 ' A' ' 51' ' ' LEU . 21.0 mm-40 -57.81 -52.12 66.76 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 168.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.69 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 19.6 ttpt -79.28 -4.02 48.76 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.044 -0.98 . . . . 0.0 113.082 -167.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.43 ' HB2' HD11 ' B' ' 47' ' ' ILE . 26.8 m80 -117.32 -0.36 12.03 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 116.932 -1.907 . . . . 0.0 113.778 169.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.537 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.7 mm? -116.88 -27.63 6.54 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.249 0.547 . . . . 0.0 111.249 173.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . 0.488 ' ND2' HD12 ' A' ' 51' ' ' LEU . 2.5 m-80 -139.54 -29.07 0.75 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.394 -163.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.69 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 15.7 mtmt . . . . . 0 C--O 1.248 0.995 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -104.89 1.74 10.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.708 . . . . 0.0 110.072 -177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -134.99 135.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.222 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.15 150.94 41.5 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.002 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.2 m -67.9 -14.13 62.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.045 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.03 -6.55 58.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -103.79 -12.67 16.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.895 0.378 . . . . 0.0 110.888 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -113.76 -18.19 11.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.979 0.418 . . . . 0.0 110.557 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' OE2' ' HE1' ' B' ' 50' ' ' HIS . 23.3 mt-10 -137.1 136.77 38.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.182 174.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.41 145.21 36.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.747 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.62 131.4 47.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.135 0.493 . . . . 0.0 110.896 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.74 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.25 171.07 1.77 Allowed Pre-proline 0 CA--C 1.538 0.488 0 C-N-CA 124.165 0.986 . . . . 0.0 113.33 -171.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.74 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 59.2 Cg_exo -47.96 -41.6 32.61 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.286 2.657 . . . . 0.0 114.442 173.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -146.34 -25.83 0.43 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -165.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 25.7 p -115.27 40.98 2.55 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -168.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.747 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -90.66 35.68 0.89 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.852 0.358 . . . . 0.0 110.626 -178.667 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 18' ' ' ALA . 4.0 ptp85 -149.37 -23.92 0.29 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -131.25 -28.92 1.86 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -170.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.69 24.47 49.78 Favored Glycine 0 CA--C 1.521 0.427 0 C-N-CA 120.381 -0.914 . . . . 0.0 113.266 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 3.4 pt-20 -148.64 155.72 41.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.17 0.509 . . . . 0.0 111.062 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.54 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.6 mm -123.57 103.46 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.87 48.58 3.12 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.042 0.839 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.52 9.83 20.05 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.732 -177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -122.74 145.81 46.3 Favored Pre-proline 0 C--N 1.305 -1.344 0 CA-C-N 114.376 -0.912 . . . . 0.0 110.681 -170.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.54 135.17 68.84 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.891 2.394 . . . . 0.0 111.979 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.48 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 45.6 t -90.84 137.35 26.87 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 66.9 Cg_exo -31.45 -60.11 0.17 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 126.16 4.573 . . . . 0.0 116.47 -177.168 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.19 -6.6 9.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.422 0.63 . . . . 0.0 111.377 -167.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 30.0 p -130.6 88.67 2.66 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.742 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -75.76 55.34 0.86 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.238 0.542 . . . . 0.0 111.457 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.88 46.05 2.53 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.276 174.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -117.52 -43.86 2.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.466 0.65 . . . . 0.0 109.518 175.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.63 -38.14 3.2 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -174.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -112.67 163.79 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.89 0.376 . . . . 0.0 111.802 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.6 pt -124.12 159.98 28.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.645 175.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.35 161.99 17.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.814 0.816 . . . . 0.0 112.999 -171.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.3 p -106.03 174.89 5.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.343 -1.299 . . . . 0.0 108.319 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.96 80.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.507 0.594 . . . . 0.0 111.405 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -60.53 -42.48 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.781 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.74 -30.22 70.71 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.584 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.9 m-85 -69.51 -32.93 72.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.402 0.144 . . . . 0.0 111.163 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.34 0.59 . . . . 0.0 110.448 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 mp -87.58 -16.9 33.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -176.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -82.73 -45.83 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.012 -0.675 . . . . 0.0 109.963 -177.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.47 -21.58 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.047 0.451 . . . . 0.0 110.551 -176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -74.38 -40.35 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.587 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.653 HG22 HG21 ' C' ' 47' ' ' ILE . 29.9 pt -77.55 -31.06 17.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.113 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 7.0 mm-40 -52.59 -58.16 7.68 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.89 0.78 22.73 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.448 -1.251 . . . . 0.0 112.256 -164.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.669 ' O ' HD23 ' A' ' 51' ' ' LEU . 12.2 m-70 -114.61 -10.96 12.44 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 117.618 -1.633 . . . . 0.0 114.253 168.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 50' ' ' HIS . 19.0 mt -127.68 -42.22 1.63 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.108 0.867 . . . . 0.0 111.895 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -106.06 -25.31 12.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.977 0.417 . . . . 0.0 111.927 -173.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.624 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.9 mtmm . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.236 -0.887 . . . . 0.0 109.015 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -105.41 3.12 10.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.662 0.744 . . . . 0.0 110.186 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.445 HG22 ' HG3' ' C' ' 39' ' ' GLN . 16.2 tt -136.43 135.48 49.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.231 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.88 149.8 42.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.788 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.5 m -66.53 -14.26 62.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.758 -176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -82.15 -6.04 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.373 -176.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -103.61 -12.95 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.99 -17.99 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' OE2' ' HE1' ' C' ' 50' ' ' HIS . 22.8 mt-10 -137.33 136.32 37.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.158 174.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.53 145.43 35.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.805 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.05 131.41 47.47 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.061 0.457 . . . . 0.0 111.221 -176.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.815 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.6 OUTLIER -61.6 168.02 3.75 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.118 0.967 . . . . 0.0 113.141 -172.234 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.815 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 54.3 Cg_exo -46.59 -39.8 23.22 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.5 2.133 . . . . 0.0 114.146 171.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -146.01 -24.52 0.45 Allowed 'General case' 0 C--N 1.347 0.486 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -165.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.605 ' SG ' 'ZN ' ' B' ' 54' ' ' ' ZN' . 7.5 p -116.59 41.38 2.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -168.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.805 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.4 OUTLIER -90.33 34.48 0.87 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 121.411 0.624 . . . . 0.0 110.685 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -150.25 -25.95 0.24 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.98 -39.67 2.08 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.84 23.64 25.06 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 119.556 -1.307 . . . . 0.0 113.69 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.589 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.0 pt-20 -152.95 159.16 42.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.129 0.465 . . . . 0.0 110.888 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.3 mm -124.29 102.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 64.06 49.69 2.66 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 124.163 0.914 . . . . 0.0 111.436 -178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.74 10.11 23.06 Favored Glycine 0 N--CA 1.467 0.727 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.828 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -124.39 143.73 43.85 Favored Pre-proline 0 C--N 1.306 -1.323 0 CA-C-N 114.46 -0.87 . . . . 0.0 110.44 -169.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -55.8 134.08 61.92 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.825 2.35 . . . . 0.0 112.436 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.2 t -89.29 134.6 32.62 Favored Pre-proline 0 CA--C 1.543 0.683 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -29.69 -57.99 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 1 C-N-CA 126.617 4.878 . . . . 0.0 116.765 -176.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.16 -8.63 9.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.748 -168.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 15' ' ' CYS . 21.8 p -130.88 93.49 3.42 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 58.52 2.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 46.57 2.59 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.609 -0.723 . . . . 0.0 113.318 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 32' ' ' LYS . 44.5 mtmt -119.24 -44.76 2.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.627 0.727 . . . . 0.0 109.257 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.554 ' HA2' ' O ' ' B' ' 15' ' ' CYS . . . 117.31 -38.57 2.93 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.85 163.13 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.935 0.397 . . . . 0.0 111.864 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 pt -124.04 159.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.412 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.516 HD22 HD23 ' B' ' 44' ' ' LEU . 4.3 mp -87.25 161.98 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -170.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -105.86 173.45 6.31 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.539 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.38 70.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 118.33 0.514 . . . . 0.0 111.638 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.11 -44.2 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.655 0.264 . . . . 0.0 110.731 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.4 -28.43 71.26 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.683 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.532 ' HA ' HD23 ' B' ' 44' ' ' LEU . 11.4 m-85 -69.37 -32.24 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.576 0.227 . . . . 0.0 110.966 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -71.14 -31.27 67.51 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.499 0.666 . . . . 0.0 109.965 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 47' ' ' ILE . 6.2 mp -87.21 -20.01 27.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.433 -176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -80.83 -45.46 16.86 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.596 -0.69 . . . . 0.0 110.304 -177.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -73.61 -21.39 60.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.919 0.39 . . . . 0.0 110.421 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -74.09 -40.47 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.673 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.652 HG22 HG21 ' A' ' 47' ' ' ILE . 28.0 pt -77.62 -31.31 17.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.985 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -52.19 -58.6 6.13 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 170.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.639 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 25.7 ttmt -77.55 0.86 21.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.312 -164.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.667 ' O ' HD23 ' B' ' 51' ' ' LEU . 11.5 m-70 -114.56 -9.45 12.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.073 168.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.667 HD23 ' O ' ' B' ' 50' ' ' HIS . 23.7 mt -129.21 -42.81 1.34 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.024 0.829 . . . . 0.0 111.877 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -106.34 -23.41 12.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.971 0.415 . . . . 0.0 111.899 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.639 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.456 -0.783 . . . . 0.0 109.187 175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.67 3.26 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.804 0.811 . . . . 0.0 110.043 -177.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.0 tt -136.86 134.82 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.29 149.24 43.99 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.778 174.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -65.22 -14.53 60.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.236 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.6 -6.31 58.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.31 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -104.08 -11.7 17.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.802 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.38 -17.84 11.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 110.786 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.438 ' OE2' ' HE1' ' A' ' 50' ' ' HIS . 23.2 mt-10 -137.57 135.37 36.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.047 173.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.57 144.42 38.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -176.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.758 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.2 131.44 47.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.418 0.627 . . . . 0.0 111.127 -176.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.712 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -62.51 171.44 1.73 Allowed Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 114.97 -1.014 . . . . 0.0 113.507 -170.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.712 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 67.6 Cg_exo -49.0 -41.82 39.41 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 122.888 2.392 . . . . 0.0 114.259 173.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -144.98 -26.59 0.48 Allowed 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -165.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.533 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 28.6 p -115.31 41.44 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 118.992 -1.083 . . . . 0.0 113.829 -168.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.758 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -89.53 35.3 0.82 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.423 ' H ' ' H ' ' C' ' 18' ' ' ALA . 3.6 ptp85 -149.25 -25.57 0.29 Allowed 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -176.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.423 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -127.96 -33.29 2.23 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 115.431 -0.804 . . . . 0.0 113.033 -169.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.75 25.59 37.91 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.405 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.2 pt-20 -150.97 156.05 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.153 0.502 . . . . 0.0 111.328 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.609 ' O ' ' HB ' ' C' ' 24' ' ' THR . 33.2 mm -123.12 102.2 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 175.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 64.45 50.22 2.28 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.312 1.007 . . . . 0.0 111.285 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 12.06 25.38 Favored Glycine 0 N--CA 1.465 0.618 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.72 -177.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.609 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -125.54 144.43 47.97 Favored Pre-proline 0 C--N 1.303 -1.444 0 CA-C-N 114.34 -0.93 . . . . 0.0 110.553 -168.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -57.47 132.37 50.2 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.731 2.287 . . . . 0.0 112.463 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.436 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 53.3 t -89.26 135.64 31.08 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -170.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 60.1 Cg_exo -30.29 -58.55 0.16 Allowed 'Trans proline' 0 C--N 1.356 0.936 1 C-N-CA 126.511 4.808 . . . . 0.0 116.846 -176.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.33 -6.88 9.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.403 0.62 . . . . 0.0 111.271 -167.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.411 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 31.8 p -130.87 89.86 2.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.775 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -76.96 56.17 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.297 0.57 . . . . 0.0 111.213 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.15 46.1 2.68 Favored Glycine 0 N--CA 1.441 -0.969 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.052 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' C' ' 32' ' ' LYS . 42.8 mtmt -117.49 -43.93 2.78 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 121.5 0.667 . . . . 0.0 109.274 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' C' ' 15' ' ' CYS . . . 115.8 -38.18 3.17 Favored Glycine 0 N--CA 1.44 -1.05 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.93 164.0 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.971 0.415 . . . . 0.0 111.728 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.451 HG23 ' SG ' ' C' ' 12' ' ' CYS . 8.7 pt -124.16 160.0 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.621 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' C' ' 44' ' ' LEU . 4.2 mp -87.48 161.58 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.746 0.784 . . . . 0.0 113.082 -171.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -105.7 174.79 5.73 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.508 -1.224 . . . . 0.0 108.19 173.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.63 78.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.411 0.551 . . . . 0.0 111.455 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . 0.445 ' HG3' HG22 ' B' ' 3' ' ' ILE . 53.9 tt0 -59.44 -44.37 92.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.56 -27.97 71.75 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.845 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.518 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.9 m-85 -69.56 -32.03 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.541 0.21 . . . . 0.0 110.897 175.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.2 m -71.08 -32.12 68.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.453 0.644 . . . . 0.0 110.009 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.49 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.3 mp -87.19 -19.12 28.88 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.502 -175.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.553 HD23 HD22 ' C' ' 36' ' ' LEU . 0.9 OUTLIER -81.19 -45.14 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.377 -178.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.59 -22.35 60.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 0.0 110.489 -176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.84 -40.0 63.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.554 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.653 HG21 HG22 ' A' ' 47' ' ' ILE . 28.5 pt -77.67 -31.38 17.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.24 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -50.87 -58.95 4.7 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.571 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 28.3 ttmt -77.87 0.7 23.01 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.132 -1.394 . . . . 0.0 112.211 -163.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.646 ' O ' HD23 ' C' ' 51' ' ' LEU . 12.1 m-70 -114.75 -9.74 12.5 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 117.45 -1.7 . . . . 0.0 114.167 168.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.646 HD23 ' O ' ' C' ' 50' ' ' HIS . 22.3 mt -127.63 -43.25 1.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 119.004 0.82 . . . . 0.0 111.859 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -105.58 -24.65 12.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.573 -173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 8.2 mtmm . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.549 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . 0.605 'ZN ' ' SG ' ' B' ' 15' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -105.51 -6.22 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.444 0.64 . . . . 0.0 110.683 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -125.62 136.8 59.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.308 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.27 163.35 16.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.1 m -65.98 -13.82 60.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.333 0.587 . . . . 0.0 110.066 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.77 -5.59 59.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.51 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -101.7 -0.42 34.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.07 0.462 . . . . 0.0 110.272 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -121.59 -26.54 4.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.653 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -146.77 152.08 38.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.397 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.87 144.56 36.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.187 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HA ' HG12 ' A' ' 34' ' ' VAL . . . -64.17 134.47 54.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.13 0.491 . . . . 0.0 110.623 -178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.648 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.2 m -56.32 165.86 1.39 Allowed Pre-proline 0 N--CA 1.453 -0.315 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -171.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -51.37 -32.55 42.56 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.975 2.45 . . . . 0.0 113.187 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -152.24 -29.7 0.16 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -166.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.3 p -115.66 41.78 2.44 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -167.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -91.81 28.03 1.91 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 -177.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -148.68 -24.22 0.32 Allowed 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -164.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.32 -36.13 1.5 Allowed 'General case' 0 C--N 1.341 0.2 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.116 -174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.15 20.0 44.11 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.95 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.41 162.96 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.124 0.488 . . . . 0.0 110.958 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.58 ' O ' ' HB ' ' A' ' 24' ' ' THR . 26.8 mm -127.8 108.37 17.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 60.74 45.47 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.356 0.41 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.07 4.96 17.51 Favored Glycine 0 CA--C 1.509 -0.322 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.519 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.65 146.45 39.92 Favored Pre-proline 0 C--N 1.31 -1.134 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.173 -170.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.49 133.8 58.37 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.126 2.55 . . . . 0.0 111.975 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 46.9 t -85.71 140.06 35.53 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -170.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.4 Cg_exo -31.39 -53.67 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 125.71 4.273 . . . . 0.0 116.115 -178.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.35 -3.27 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -167.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 13.8 p -130.61 105.88 8.12 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 p -82.14 50.84 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.957 -0.464 . . . . 0.0 112.244 -177.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.88 39.9 5.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.15 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -110.93 -39.9 4.67 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.8 -38.85 2.86 Favored Glycine 0 N--CA 1.437 -1.258 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.57 163.67 12.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.648 HG23 ' SG ' ' A' ' 12' ' ' CYS . 9.0 pt -124.34 161.24 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.256 173.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD22 HD23 ' A' ' 44' ' ' LEU . 4.2 mp -87.08 156.53 19.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -173.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.12 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.02 169.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.51 -44.54 85.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.699 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.54 -30.23 73.04 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.79 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.592 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.9 m-85 -69.2 -32.34 71.55 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.828 -0.219 . . . . 0.0 110.854 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.8 m -70.44 -35.42 73.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.313 0.578 . . . . 0.0 110.856 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mp -86.45 -13.3 46.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.449 -174.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.599 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -82.35 -42.63 18.46 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.744 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.24 -25.12 63.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.975 0.417 . . . . 0.0 110.673 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 63.6 t80 -74.87 -39.39 61.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.374 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.765 HG21 HG22 ' B' ' 47' ' ' ILE . 22.8 pt -79.61 -31.63 14.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.564 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 84.6 mm-40 -55.29 -58.14 8.92 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.831 168.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 27.7 ttpt -79.0 1.17 24.79 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.005 -165.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.504 ' NE2' HD21 ' C' ' 36' ' ' LEU . 62.0 m80 -117.42 -1.31 11.76 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 117.794 -1.562 . . . . 0.0 114.033 164.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' C' ' 52' ' ' ASN . 3.4 mm? -121.98 -42.89 2.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 118.744 0.702 . . . . 0.0 111.346 175.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.409 ' OD1' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -124.06 -19.79 5.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -166.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.568 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -105.2 -8.29 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.453 0.644 . . . . 0.0 110.611 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.407 HG22 ' HG3' ' C' ' 39' ' ' GLN . 16.8 tt -122.97 137.38 56.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.263 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.71 164.16 15.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 173.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.2 m -65.43 -13.51 58.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.511 . . . . 0.0 110.241 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.7 -6.08 59.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.738 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.9 0.46 38.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.188 0.518 . . . . 0.0 109.978 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.0 mt -123.43 -27.34 4.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.775 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -146.83 151.02 36.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.497 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 p -132.12 146.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.411 -0.813 . . . . 0.0 108.976 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.12 134.46 54.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.142 0.496 . . . . 0.0 110.888 -178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.541 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -58.41 165.03 3.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.081 -0.963 . . . . 0.0 113.185 -171.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.541 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 91.0 Cg_exo -51.36 -30.81 35.55 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 122.843 2.362 . . . . 0.0 113.965 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -151.31 -31.0 0.17 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -165.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 24.2 p -116.28 43.14 2.24 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -169.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.534 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.18 27.42 1.89 Allowed 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -147.97 -27.19 0.34 Allowed 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -164.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.66 -35.3 2.14 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.105 -175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 18.78 50.56 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.968 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 6.2 pt-20 -149.9 158.86 44.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.4 mm -125.97 107.51 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 177.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 59.9 43.62 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 123.322 0.389 . . . . 0.0 111.119 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.07 2.82 20.22 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.427 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -118.28 144.43 35.0 Favored Pre-proline 0 C--N 1.309 -1.188 0 CA-C-N 115.191 -0.505 . . . . 0.0 111.044 -170.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.21 127.97 28.0 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.596 2.864 . . . . 0.0 112.622 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.431 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.2 t -79.28 138.0 56.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -171.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -30.36 -54.1 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.049 1 C-N-CA 125.926 4.418 . . . . 0.0 116.06 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.56 -3.1 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -167.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 14.9 p -132.76 103.99 6.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 p -82.02 51.67 1.81 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -175.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.5 43.16 4.34 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.884 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -114.3 -40.34 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.26 -39.75 2.56 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -177.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' B' ' 11' ' ' ALA . 34.3 m -114.2 163.0 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 pt -124.54 161.04 28.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.179 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.548 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -87.38 156.49 19.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.188 0.811 . . . . 0.0 113.188 -172.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -107.15 175.27 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.122 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.05 -45.69 68.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.96 -45.72 86.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.969 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 -30.05 75.03 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.062 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.558 ' HA ' HD23 ' B' ' 44' ' ' LEU . 10.5 m-85 -69.51 -32.76 71.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.726 -0.279 . . . . 0.0 110.959 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.61 -35.2 75.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.331 0.586 . . . . 0.0 110.74 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.45 -14.07 44.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.691 -174.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.593 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -82.63 -41.88 18.89 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.054 -0.658 . . . . 0.0 109.822 179.181 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -70.26 -25.17 63.24 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.938 0.399 . . . . 0.0 110.635 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 63.5 t80 -74.85 -39.75 61.4 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.248 176.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.765 HG22 HG21 ' A' ' 47' ' ' ILE . 23.2 pt -79.51 -31.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 119.599 -0.84 . . . . 0.0 110.465 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 83.4 mm-40 -55.42 -58.67 6.79 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 168.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.553 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 26.7 ttpt -78.41 1.01 23.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.001 -165.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.515 ' NE2' HD21 ' A' ' 36' ' ' LEU . 62.6 m80 -117.23 -1.36 11.84 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 117.965 -1.494 . . . . 0.0 114.049 164.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.417 HD21 HG13 ' A' ' 47' ' ' ILE . 3.4 mm? -122.17 -43.01 2.34 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.765 0.711 . . . . 0.0 111.304 175.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.425 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -125.37 -17.88 5.49 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -166.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.553 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 10.3 mtmt . . . . . 0 C--N 1.316 -0.878 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.305 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.04 -8.98 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.363 0.601 . . . . 0.0 110.547 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -122.77 137.31 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.302 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.7 163.91 16.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.3 m -66.21 -13.21 59.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.213 0.53 . . . . 0.0 110.188 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.55 -6.33 59.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -101.88 2.3 37.94 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.156 0.503 . . . . 0.0 110.116 176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.3 mt -123.96 -27.92 3.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.696 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.462 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 23.1 mt-10 -146.71 151.72 37.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.37 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 p -132.31 145.48 34.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.62 133.05 51.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 110.764 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.64 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -57.03 165.06 1.97 Allowed Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.296 -0.865 . . . . 0.0 113.178 -170.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.64 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 82.3 Cg_exo -51.75 -28.33 29.86 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.066 2.51 . . . . 0.0 114.493 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -153.4 -31.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -166.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 43.89 2.19 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 118.931 -1.108 . . . . 0.0 113.852 -166.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.516 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 26.39 2.22 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.463 -0.79 . . . . 0.0 108.941 -177.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.6 ptp180 -147.72 -25.04 0.37 Allowed 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -164.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -128.95 -34.3 1.94 Allowed 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 114.704 -1.134 . . . . 0.0 111.954 -175.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.59 19.44 51.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -151.89 159.62 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.996 0.427 . . . . 0.0 111.014 -175.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.509 ' O ' ' HB ' ' C' ' 24' ' ' THR . 28.2 mm -125.75 107.7 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 59.15 45.25 14.73 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.226 0.329 . . . . 0.0 111.161 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.63 5.66 18.87 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.194 -1.003 . . . . 0.0 112.466 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.1 m -118.71 145.77 38.41 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.247 -0.476 . . . . 0.0 111.007 -172.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -53.92 133.1 53.19 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 123.397 2.731 . . . . 0.0 112.221 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.6 t -85.58 137.46 36.31 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -170.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -30.11 -53.35 0.21 Allowed 'Trans proline' 0 C--N 1.356 0.958 1 C-N-CA 126.02 4.48 . . . . 0.0 116.191 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.19 -1.59 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -168.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.477 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 15.3 p -133.2 103.73 6.14 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.1 p -80.37 51.39 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.65 4.84 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.213 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -113.09 -39.42 4.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 116.92 -39.31 2.71 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -114.16 163.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.074 0.464 . . . . 0.0 112.198 -175.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 11.5 pt -124.86 160.98 29.28 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.159 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.545 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -87.2 156.54 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -172.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -107.41 175.22 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.122 169.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.89 67.42 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . 0.455 HE21 HD21 ' C' ' 8' ' ' LEU . 14.8 tt0 -58.69 -43.99 90.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 110.766 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . 0.435 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.06 -30.65 74.09 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.998 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.548 ' HA ' HD23 ' C' ' 44' ' ' LEU . 10.4 m-85 -69.38 -32.85 72.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.703 -0.292 . . . . 0.0 110.977 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -69.82 -35.18 74.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.333 0.587 . . . . 0.0 110.789 173.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.49 -14.33 43.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.78 -174.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.11 -42.11 19.59 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.689 179.042 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -70.07 -25.25 63.45 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.0 0.428 . . . . 0.0 110.78 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 63.3 t80 -75.02 -40.04 60.75 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.331 176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.722 HG21 HG22 ' A' ' 47' ' ' ILE . 22.7 pt -79.4 -31.35 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.675 -0.81 . . . . 0.0 110.497 -177.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 83.9 mm-40 -55.28 -58.7 6.62 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.713 168.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.568 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.7 ttpt -78.85 0.92 25.22 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.373 -0.83 . . . . 0.0 113.002 -165.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.486 ' NE2' HD21 ' B' ' 36' ' ' LEU . 61.6 m80 -116.75 -1.61 12.05 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.901 -1.52 . . . . 0.0 113.947 164.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.436 HD21 HG13 ' B' ' 47' ' ' ILE . 3.4 mm? -121.69 -45.32 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.992 175.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . 0.421 ' OD1' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -123.38 -17.28 6.6 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -166.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.568 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.3 mtmt . . . . . 0 C--N 1.317 -0.814 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.338 174.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.91 -5.2 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 -176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.96 137.2 57.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.632 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.74 147.72 49.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.532 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.58 -18.88 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.527 -175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.07 -2.34 55.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.218 -174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -101.38 -21.25 14.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 110.388 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 46' ' ' PHE . 7.9 mp -108.42 -10.41 15.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.118 0.485 . . . . 0.0 110.609 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.412 ' HG3' ' CE1' ' B' ' 46' ' ' PHE . 42.4 mt-10 -141.03 142.99 34.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.521 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.57 142.62 43.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.802 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.12 131.55 47.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.016 0.436 . . . . 0.0 110.181 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.867 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 49.3 t -62.7 153.88 76.77 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.267 -169.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.867 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 Cg_exo -38.37 -36.46 0.55 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.585 2.856 . . . . 0.0 114.802 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' HD3' HG23 ' A' ' 21' ' ' ILE . 63.1 tttp -143.64 -30.59 0.49 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -166.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 20.2 p -117.05 47.13 1.54 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.938 1.458 . . . . 0.0 114.938 -169.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.86 27.61 1.76 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -177.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -148.53 -26.82 0.32 Allowed 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.37 -39.9 2.41 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.937 -169.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.523 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 94.49 14.28 51.06 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.112 -1.042 . . . . 0.0 111.966 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.6 pt-20 -153.01 164.54 37.8 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.522 HG23 ' HD3' ' A' ' 14' ' ' LYS . 16.9 mt -132.98 121.67 44.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 172.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.85 42.13 31.37 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 123.972 0.795 . . . . 0.0 110.757 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.2 -2.68 50.76 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.752 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.6 ' OG1' ' HD2' ' A' ' 25' ' ' PRO . 0.6 OUTLIER -119.17 160.91 39.31 Favored Pre-proline 0 C--N 1.321 -0.65 0 O-C-N 122.693 -0.298 . . . . 0.0 111.559 -173.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.6 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 18.3 Cg_endo -57.09 137.59 82.55 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.018 2.479 . . . . 0.0 111.814 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 40.7 t -91.09 140.98 26.03 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -171.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.416 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 46.9 Cg_exo -27.42 -52.55 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.041 1 C-N-CA 126.274 4.649 . . . . 0.0 116.717 -178.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.64 -5.21 3.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -167.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -132.94 99.43 4.58 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.3 m -77.92 55.85 1.48 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.05 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.523 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 88.75 47.12 4.34 Favored Glycine 0 CA--C 1.504 -0.641 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.507 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -119.05 -37.38 3.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -172.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.42 -39.56 2.82 Favored Glycine 0 N--CA 1.436 -1.343 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.7 m -125.77 169.27 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.068 0.461 . . . . 0.0 111.989 -176.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 pt -129.25 161.07 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.843 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 44' ' ' LEU . 4.6 mp -87.6 164.41 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.9 p -106.19 177.75 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.362 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.98 77.75 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.454 0.57 . . . . 0.0 111.7 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.88 -41.01 95.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.69 0.281 . . . . 0.0 110.812 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.18 73.78 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.575 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.585 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.3 m-85 -69.75 -33.02 71.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.779 -0.211 . . . . 0.0 110.919 176.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.06 -32.38 70.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.301 0.572 . . . . 0.0 110.537 173.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -86.41 -14.1 44.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.723 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.62 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -83.59 -40.2 19.37 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.836 179.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.38 -23.13 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.165 0.507 . . . . 0.0 110.437 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' C' ' 9' ' ' GLU . 1.6 t80 -73.83 -44.26 56.19 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-O 121.403 0.621 . . . . 0.0 110.015 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.703 HG21 HG22 ' B' ' 47' ' ' ILE . 19.1 pt -79.84 -28.31 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.48 -173.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.1 mm-40 -54.89 -58.69 6.57 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-O 121.443 0.64 . . . . 0.0 109.525 166.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.656 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 9.1 ttpt -78.96 -3.0 42.78 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.732 -1.122 . . . . 0.0 113.181 -165.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.437 ' HB2' HD11 ' C' ' 47' ' ' ILE . 28.5 m80 -117.74 -0.63 11.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 116.719 -1.992 . . . . 0.0 113.979 168.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.474 HD21 ' HB ' ' C' ' 47' ' ' ILE . 3.6 mm? -119.01 -33.34 4.2 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.389 0.541 . . . . 0.0 111.31 172.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.71 -30.77 2.75 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -167.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.656 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 8.6 mtmm . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.635 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.86 -4.31 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.507 0.67 . . . . 0.0 110.495 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.5 tt -130.07 137.26 56.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.731 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.18 147.72 48.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.534 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -61.82 -19.42 62.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.358 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -83.25 -1.66 53.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.299 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -101.72 -20.42 14.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -109.06 -10.22 15.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 110.627 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.439 ' HG3' ' CE1' ' C' ' 46' ' ' PHE . 42.5 mt-10 -141.04 143.17 34.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.599 174.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.86 142.75 42.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.027 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.468 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.48 133.4 51.19 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 1.001 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 50.9 t -71.14 154.67 93.87 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.701 -166.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 1.001 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.7 Cg_exo -36.24 -42.9 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 124.217 3.278 . . . . 0.0 114.797 -177.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.561 ' HD3' HG23 ' B' ' 21' ' ' ILE . 58.9 tttp -140.26 -26.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.693 -168.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.604 ' O ' ' HB3' ' B' ' 12' ' ' CYS . 14.7 p -116.09 109.9 18.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.919 0.866 . . . . 0.0 111.561 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -152.84 15.45 0.56 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -177.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -148.49 -30.17 0.28 Allowed 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.272 -159.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.91 -39.72 2.81 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 115.229 -0.896 . . . . 0.0 112.977 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.66 39.41 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.238 -0.982 . . . . 0.0 111.852 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 2.2 pt-20 -154.27 170.83 20.33 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.561 HG23 ' HD3' ' B' ' 14' ' ' LYS . 13.6 mt -138.41 122.52 21.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 171.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 54.55 43.44 30.27 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 124.075 0.859 . . . . 0.0 110.372 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.42 0.72 39.87 Favored Glycine 0 CA--C 1.522 0.515 0 CA-C-N 116.181 -0.463 . . . . 0.0 113.973 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.552 ' OG1' ' HD2' ' B' ' 25' ' ' PRO . 0.5 OUTLIER -120.0 159.97 44.83 Favored Pre-proline 0 C--N 1.319 -0.755 0 O-C-N 122.578 -0.366 . . . . 0.0 111.648 -172.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.552 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 19.2 Cg_endo -58.16 135.33 67.7 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.012 2.475 . . . . 0.0 111.54 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.552 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 53.0 t -91.58 140.76 25.33 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.505 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.552 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.4 Cg_exo -27.36 -53.51 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 126.34 4.693 . . . . 0.0 116.385 -177.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.93 -4.38 4.55 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -167.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 32.0 p -135.48 105.4 6.21 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.5 m -81.41 55.98 2.77 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.266 -0.424 . . . . 0.0 112.111 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 53.91 2.55 Favored Glycine 0 CA--C 1.506 -0.512 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.205 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -125.75 -42.69 1.9 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 -172.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 116.97 -37.61 3.29 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.193 178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' B' ' 11' ' ' ALA . 29.5 m -127.04 170.64 16.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.346 -0.502 . . . . 0.0 111.612 -175.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 pt -130.19 160.06 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.904 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.456 HD22 HD23 ' B' ' 44' ' ' LEU . 4.7 mp -86.94 164.51 16.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -170.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 52.7 p -106.0 176.63 5.1 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.345 173.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.23 74.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.327 0.512 . . . . 0.0 111.763 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.36 -41.42 93.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.79 -31.42 75.77 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.671 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.589 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.4 m-85 -70.16 -32.68 70.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.456 0.169 . . . . 0.0 110.936 177.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 7.3 m -70.08 -32.66 70.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.437 0.637 . . . . 0.0 110.683 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.15 -14.39 44.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.712 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -83.03 -40.15 20.3 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.022 178.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.4 -23.39 62.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.331 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HG3' ' A' ' 9' ' ' GLU . 1.5 t80 -73.67 -44.77 55.86 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.426 0.631 . . . . 0.0 110.044 174.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.718 HG21 HG22 ' C' ' 47' ' ' ILE . 18.2 pt -79.51 -27.68 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.489 -173.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.0 mm-40 -55.45 -58.27 8.46 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 121.492 0.663 . . . . 0.0 109.491 166.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.637 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 9.6 ttpt -79.36 -3.53 46.7 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 114.706 -1.134 . . . . 0.0 113.169 -165.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 47' ' ' ILE . 27.1 m80 -117.33 -0.79 11.92 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 116.656 -2.017 . . . . 0.0 113.906 169.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.6 mm? -119.15 -32.88 4.3 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.295 0.569 . . . . 0.0 111.424 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.07 -30.28 2.71 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.981 -166.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.637 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 6.9 mtmm . . . . . 0 C--O 1.247 0.938 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.786 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -105.99 -5.23 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.58 0.705 . . . . 0.0 110.31 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -128.36 136.96 58.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.624 -177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.13 149.0 48.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.486 173.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -63.0 -18.85 63.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.286 -174.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -83.23 -1.13 52.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.515 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -101.35 -20.61 15.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 110.227 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . 7.9 mp -109.21 -11.62 14.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.084 0.469 . . . . 0.0 110.767 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.435 ' HG3' ' CE1' ' A' ' 46' ' ' PHE . 43.3 mt-10 -139.71 143.47 37.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.658 174.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.79 142.5 43.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.183 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.592 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.94 131.53 47.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.044 0.45 . . . . 0.0 109.959 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.909 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 42.3 t -64.93 153.24 89.04 Favored Pre-proline 0 N--CA 1.448 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.361 -168.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.909 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -36.38 -37.85 0.29 Allowed 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 123.933 3.089 . . . . 0.0 114.765 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . 0.488 ' HD3' HG23 ' C' ' 21' ' ' ILE . 53.7 tttp -143.18 -29.73 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -167.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.428 ' HB3' HG12 ' C' ' 21' ' ' ILE . 25.5 p -116.61 44.8 1.94 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -166.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.592 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.13 26.8 2.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.111 0.482 . . . . 0.0 109.988 -175.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.434 ' H ' ' H ' ' C' ' 18' ' ' ALA . 15.8 ptp180 -148.3 -22.97 0.34 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -164.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -126.61 -39.85 1.97 Allowed 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.143 -170.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.529 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 94.7 14.26 50.54 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.073 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -154.76 164.17 39.19 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.488 HG23 ' HD3' ' C' ' 14' ' ' LYS . 9.3 mt -133.47 119.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 57.19 42.05 26.07 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.111 0.882 . . . . 0.0 110.395 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.72 1.69 54.62 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.209 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.593 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.6 OUTLIER -120.74 160.67 43.52 Favored Pre-proline 0 C--N 1.318 -0.777 0 O-C-N 122.702 -0.293 . . . . 0.0 111.659 -174.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . 0.593 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 18.1 Cg_endo -57.03 137.58 82.57 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.896 2.397 . . . . 0.0 111.463 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.551 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.4 t -93.45 140.41 23.17 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.671 -170.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.551 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 61.0 Cg_exo -27.84 -52.01 0.12 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.394 4.729 . . . . 0.0 116.721 -177.55 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.83 -6.16 3.16 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -168.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 15.5 p -130.96 99.52 4.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -78.16 55.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.529 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 88.42 48.48 3.99 Favored Glycine 0 CA--C 1.504 -0.634 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.189 175.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -119.83 -37.85 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -173.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.513 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.85 -39.29 2.91 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.9 m -126.8 169.25 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.447 -0.443 . . . . 0.0 111.871 -176.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -128.57 161.49 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.831 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -87.7 164.89 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -170.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 45.2 p -105.87 177.93 4.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.355 173.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.19 -46.36 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.447 0.567 . . . . 0.0 111.839 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -61.59 -39.81 92.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.759 0.314 . . . . 0.0 110.483 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.08 -32.44 76.73 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.643 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.629 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.2 m-85 -70.07 -31.16 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.417 0.287 . . . . 0.0 111.083 177.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 15.3 m -71.8 -32.49 67.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.23 0.538 . . . . 0.0 110.526 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -85.95 -14.86 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.087 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -81.77 -40.91 21.95 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.275 -0.57 . . . . 0.0 109.871 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.0 -23.64 63.17 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.363 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' B' ' 9' ' ' GLU . 1.5 t80 -73.66 -44.52 56.53 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 121.439 0.637 . . . . 0.0 109.942 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.718 HG22 HG21 ' B' ' 47' ' ' ILE . 18.4 pt -79.62 -28.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.484 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.476 -173.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -54.87 -58.74 6.38 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.508 0.67 . . . . 0.0 109.524 166.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.645 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 9.1 ttpt -79.09 -3.35 44.91 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.412 -164.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.401 ' HB2' HD11 ' B' ' 47' ' ' ILE . 26.5 m80 -117.62 -0.62 11.81 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 116.892 -1.923 . . . . 0.0 113.834 169.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.6 mm? -118.78 -33.19 4.31 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.581 0.628 . . . . 0.0 111.412 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.76 -31.36 2.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.777 -166.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.645 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 7.6 mtmm . . . . . 0 C--O 1.244 0.801 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.728 175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.423 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 m -106.18 5.89 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 122.166 0.984 . . . . 0.0 108.984 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.405 ' O ' ' HG2' ' A' ' 1' ' ' FME . 16.3 tt -138.92 129.91 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 113.914 -1.494 . . . . 0.0 108.794 178.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.44 149.25 43.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 120.902 0.382 . . . . 0.0 110.284 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m -61.91 -15.14 40.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.757 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.57 -7.92 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -103.7 -15.76 15.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 111.078 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.1 -16.54 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.044 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' OE2' ' HG ' ' A' ' 36' ' ' LEU . 4.1 mt-10 -140.29 139.59 35.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.38 148.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.55 134.94 55.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.681 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -62.94 170.16 2.83 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 124.129 0.972 . . . . 0.0 113.505 -171.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.681 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 64.1 Cg_exo -47.22 -41.34 27.62 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.179 2.586 . . . . 0.0 113.801 173.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -147.11 -27.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -167.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 25.2 p -115.32 42.68 2.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 -168.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.665 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -89.56 26.95 1.59 Allowed 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.384 0.611 . . . . 0.0 109.479 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -146.98 -21.16 0.41 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -166.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.69 -33.03 1.09 Allowed 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.656 -172.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 86.48 22.49 47.14 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.201 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -147.52 159.42 43.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.078 0.466 . . . . 0.0 111.279 -175.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' THR . 36.1 mm -128.07 106.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 173.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 60.41 50.31 6.13 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.616 0.572 . . . . 0.0 111.226 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.94 2.32 8.01 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.767 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -119.82 146.19 41.24 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.569 -0.316 . . . . 0.0 110.793 -168.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -53.99 130.09 37.58 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.128 2.552 . . . . 0.0 112.597 -177.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.97 132.81 49.8 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -171.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -30.42 -62.56 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.861 1 C-N-CA 126.205 4.603 . . . . 0.0 116.632 -177.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.16 -3.0 10.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -164.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 29.1 p -123.24 -2.15 8.61 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 118.574 -1.25 . . . . 0.0 112.683 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.3 m 40.18 31.71 0.1 Allowed 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 96.26 26.75 10.73 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 120.347 -0.93 . . . . 0.0 114.424 176.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 29' ' ' CYS . 8.0 mtmp? -100.08 -35.82 9.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 118.329 1.064 . . . . 0.0 110.356 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 15' ' ' CYS . . . 111.43 -39.8 2.76 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.41 162.42 10.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 122.764 -0.257 . . . . 0.0 111.26 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.487 HG23 ' SG ' ' A' ' 12' ' ' CYS . 8.5 pt -124.79 158.7 32.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.491 178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' OE2' ' A' ' 9' ' ' GLU . 3.5 mp -87.72 164.29 16.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.49 0.662 . . . . 0.0 112.494 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -105.8 179.65 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.524 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -57.95 -44.5 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.5 0.591 . . . . 0.0 111.212 -178.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -59.88 -44.16 94.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.653 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.74 -31.12 72.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.933 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.618 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.8 m-85 -70.11 -32.39 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.411 0.152 . . . . 0.0 111.411 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.5 m -70.36 -31.78 69.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.599 0.714 . . . . 0.0 110.059 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.8 -17.1 34.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.259 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -84.42 -43.99 14.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.393 -0.523 . . . . 0.0 109.905 -176.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -71.69 -22.3 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.286 -177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.1 t80 -75.06 -41.31 59.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.351 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.611 HG21 HG22 ' B' ' 47' ' ' ILE . 20.9 pt -79.82 -29.36 12.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.66 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 76.6 mm-40 -54.12 -58.84 5.83 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 121.251 0.548 . . . . 0.0 109.954 168.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HA ' ' OXT' ' A' ' 53' ' ' LYS . 19.3 ttmt -76.77 -3.24 37.22 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.862 -164.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -116.95 -2.43 11.77 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.293 -1.363 . . . . 0.0 113.382 170.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -120.75 -34.69 3.52 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.955 -0.466 . . . . 0.0 111.463 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.41 -28.49 1.87 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.326 -166.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' OXT' ' HA ' ' A' ' 49' ' ' LYS . 24.7 mtmt . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.015 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . 0.411 ' HG2' ' O ' ' B' ' 3' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m -105.79 7.12 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 122.129 0.966 . . . . 0.0 108.872 175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' B' ' 1' ' ' FME . 16.5 tt -140.05 129.8 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.664 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.91 42.71 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.11 0.481 . . . . 0.0 110.37 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -63.39 -14.22 47.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.75 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -81.06 -9.59 59.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.648 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -103.52 -13.9 16.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.916 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.03 -16.97 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 0.0 111.08 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.48 ' OE2' ' HG ' ' B' ' 36' ' ' LEU . 4.2 mt-10 -140.11 138.66 35.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.55 0.691 . . . . 0.0 109.316 174.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.23 147.94 32.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 134.35 53.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.131 0.491 . . . . 0.0 111.008 -176.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.629 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.1 OUTLIER -61.69 171.19 1.48 Allowed Pre-proline 0 C--N 1.331 -0.231 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.355 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 64.8 Cg_exo -47.25 -42.7 27.03 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.271 2.647 . . . . 0.0 113.692 172.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -146.31 -28.46 0.41 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -167.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 31.8 p -114.72 41.54 2.34 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -166.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.652 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.93 28.02 1.46 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.223 0.535 . . . . 0.0 109.682 -178.349 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.443 ' H ' ' H ' ' B' ' 18' ' ' ALA . 19.3 ptp180 -147.39 -21.82 0.38 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -166.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.443 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -133.69 -33.37 1.08 Allowed 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.68 -172.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.459 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 86.12 24.18 41.86 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.485 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 1.8 pt-20 -146.55 160.66 41.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.233 0.539 . . . . 0.0 111.309 -177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.562 ' O ' ' HB ' ' B' ' 24' ' ' THR . 39.7 mm -128.05 106.65 15.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.053 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 58.51 54.41 5.52 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.718 0.636 . . . . 0.0 110.738 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 10.18 27.2 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.222 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.562 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -127.88 145.98 57.21 Favored Pre-proline 0 C--N 1.304 -1.397 0 CA-C-N 114.976 -0.612 . . . . 0.0 111.522 -167.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 130.6 39.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.276 2.65 . . . . 0.0 112.372 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.15 132.47 43.38 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.147 -169.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -29.76 -63.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 1 C-N-CA 126.149 4.566 . . . . 0.0 116.493 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.07 -0.66 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -165.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.463 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 31.2 p -122.61 -2.38 8.9 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 118.645 -1.222 . . . . 0.0 112.432 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m 37.52 32.99 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 171.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 95.37 26.91 11.33 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.385 -0.912 . . . . 0.0 114.399 175.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 29' ' ' CYS . 8.0 mtmp? -100.6 -35.59 9.45 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.111 0.955 . . . . 0.0 110.4 176.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.18 -39.53 2.86 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' B' ' 11' ' ' ALA . 25.1 m -112.43 162.76 10.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 122.708 -0.289 . . . . 0.0 111.197 -178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.629 HG23 ' SG ' ' B' ' 12' ' ' CYS . 7.1 pt -124.41 158.87 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.538 178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 3.4 mp -87.83 163.87 16.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.546 0.689 . . . . 0.0 112.351 -172.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 81.9 p -105.56 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.516 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.423 ' HB1' ' HB3' ' A' ' 1' ' ' FME . . . -56.08 -44.81 79.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.5 0.591 . . . . 0.0 111.433 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -59.91 -44.24 94.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.748 0.309 . . . . 0.0 110.599 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.83 -31.08 72.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.976 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.626 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.5 m-85 -70.12 -32.57 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.154 0.181 . . . . 0.0 111.41 178.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.6 m -70.44 -31.71 69.0 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.502 0.668 . . . . 0.0 109.939 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.2 mp -86.64 -16.72 35.76 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.213 -176.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -84.71 -44.01 13.78 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.074 -176.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.45 -22.47 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.259 0.552 . . . . 0.0 110.206 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.455 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -74.9 -41.33 59.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.33 175.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.624 HG21 HG22 ' C' ' 47' ' ' ILE . 21.6 pt -79.96 -29.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.728 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.1 mm-40 -54.5 -58.76 6.22 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 121.032 0.444 . . . . 0.0 110.053 168.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.511 ' HA ' ' OXT' ' B' ' 53' ' ' LYS . 18.7 ttmt -76.89 -3.39 38.39 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.905 -165.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -117.05 -1.95 11.81 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 118.253 -1.379 . . . . 0.0 113.5 170.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.441 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.06 -36.65 3.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.148 0.499 . . . . 0.0 111.577 175.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.423 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -128.45 -29.19 2.46 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.094 -166.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.511 ' OXT' ' HA ' ' B' ' 49' ' ' LYS . 25.2 mtmt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.617 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . 0.4 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m -105.93 8.45 9.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.889 0.852 . . . . 0.0 109.041 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -141.41 129.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.698 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.55 148.99 43.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.084 0.469 . . . . 0.0 110.49 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -61.65 -15.86 43.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.044 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.77 -8.92 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.709 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.84 -14.34 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.89 -17.28 12.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 111.035 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.484 ' OE2' ' HG ' ' C' ' 36' ' ' LEU . 4.0 mt-10 -139.75 139.45 36.49 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.96 148.41 31.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.669 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.97 135.23 55.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.073 0.463 . . . . 0.0 110.951 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' C' ' 35' ' ' ILE . 0.1 OUTLIER -61.34 170.95 1.41 Allowed Pre-proline 0 CA--C 1.531 0.216 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -171.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.468 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 65.1 Cg_exo -47.11 -41.61 26.73 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.289 2.659 . . . . 0.0 113.84 173.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -147.76 -29.64 0.33 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -166.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.41 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 15.0 p -115.17 41.65 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -165.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.669 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.41 27.68 1.64 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.305 0.574 . . . . 0.0 109.801 -178.137 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -146.44 -18.76 0.43 Allowed 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -166.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.06 -34.75 0.79 Allowed 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.673 -171.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.472 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 87.49 22.76 42.42 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.59 -0.815 . . . . 0.0 113.688 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -146.53 159.49 43.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.201 0.501 . . . . 0.0 111.501 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.647 ' O ' ' HB ' ' C' ' 24' ' ' THR . 37.1 mm -127.14 105.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 59.07 54.02 5.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.567 0.542 . . . . 0.0 110.838 -178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.48 9.77 26.24 Favored Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.1 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.9 m -126.98 144.25 49.68 Favored Pre-proline 0 C--N 1.303 -1.421 0 CA-C-N 114.578 -0.811 . . . . 0.0 110.971 -166.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.23 130.38 39.41 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.261 2.641 . . . . 0.0 112.43 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -85.29 133.51 42.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -169.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -30.63 -63.59 0.1 Allowed 'Trans proline' 0 C--N 1.356 0.965 1 C-N-CA 126.056 4.504 . . . . 0.0 116.494 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.7 -1.26 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -164.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.486 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 30.8 p -122.31 -2.33 9.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 118.569 -1.253 . . . . 0.0 112.555 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 16.9 m 40.29 30.24 0.07 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 170.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.3 31.49 7.95 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 120.459 -0.876 . . . . 0.0 114.089 176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' C' ' 29' ' ' CYS . 7.8 mtmp? -103.67 -36.29 7.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 117.794 0.797 . . . . 0.0 110.357 175.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.63 -39.46 2.88 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -176.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -112.89 162.32 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 O-C-N 122.634 -0.333 . . . . 0.0 111.295 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.596 HG23 ' SG ' ' C' ' 12' ' ' CYS . 7.4 pt -124.71 158.97 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.481 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' OE2' ' C' ' 9' ' ' GLU . 3.5 mp -87.98 164.32 15.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.579 0.704 . . . . 0.0 112.574 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 80.7 p -105.82 178.48 4.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.561 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.98 81.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.529 0.604 . . . . 0.0 111.271 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -59.4 -45.6 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.616 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.76 -31.04 75.07 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.939 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.62 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.4 m-85 -70.55 -31.04 67.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -71.14 -32.15 68.6 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.584 0.707 . . . . 0.0 110.013 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.38 -17.46 34.37 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.311 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -83.97 -43.85 14.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.148 -176.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -71.65 -22.38 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.277 0.561 . . . . 0.0 110.159 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.484 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.8 t80 -75.05 -41.3 59.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.283 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.624 HG22 HG21 ' B' ' 47' ' ' ILE . 21.0 pt -79.99 -28.75 12.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.712 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 77.4 mm-40 -54.87 -58.63 6.8 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-O 121.132 0.492 . . . . 0.0 110.069 168.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.46 ' HA ' ' OXT' ' C' ' 53' ' ' LYS . 18.6 ttmt -77.03 -3.31 38.46 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.964 -165.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -116.87 -2.54 11.79 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 118.232 -1.387 . . . . 0.0 113.296 170.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.6 mm? -120.84 -36.13 3.22 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.184 0.516 . . . . 0.0 111.629 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.53 -28.17 2.31 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.227 -166.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.46 ' OXT' ' HA ' ' C' ' 49' ' ' LYS . 24.3 mtmt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.419 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -108.17 3.33 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.664 0.745 . . . . 0.0 109.888 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.8 140.58 42.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.744 -175.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.32 171.83 7.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.179 172.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -60.64 -23.05 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.155 0.502 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -80.78 -5.01 56.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -101.73 4.88 41.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.849 0.357 . . . . 0.0 110.669 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.7 mt -131.69 -33.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -135.87 143.53 45.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.894 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -130.17 141.99 44.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.182 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.91 132.93 50.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.11 0.481 . . . . 0.0 111.425 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.788 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.4 t -66.21 162.87 43.77 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.404 1.082 . . . . 0.0 111.626 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.788 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 42.4 Cg_exo -41.41 -40.68 4.89 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 123.622 2.881 . . . . 0.0 116.066 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 21' ' ' ILE . 64.3 tttp -143.56 -36.73 0.36 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 -156.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -115.74 34.11 5.12 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 120.268 1.394 . . . . 0.0 112.649 -161.085 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.778 ' CD ' ' HB3' ' A' ' 12' ' ' CYS . 13.4 mm-40 -98.62 42.6 1.09 Allowed 'General case' 0 C--N 1.276 -2.63 0 CA-C-O 123.19 1.472 . . . . 0.0 108.875 -164.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -147.1 -27.31 0.39 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 111.37 -2.65 . . . . 0.0 106.564 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.88 -35.95 3.77 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.42 -172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.85 19.84 55.14 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.55 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.716 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 5.3 pt-20 -158.76 156.21 29.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.913 0.387 . . . . 0.0 110.06 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.585 ' O ' ' HB ' ' A' ' 24' ' ' THR . 51.7 mt -128.14 113.23 29.59 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 58.58 45.31 16.38 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 123.758 0.661 . . . . 0.0 111.563 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.89 8.6 35.46 Favored Glycine 0 CA--C 1.503 -0.673 0 C-N-CA 119.85 -1.166 . . . . 0.0 111.991 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.585 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.3 m -120.25 146.91 43.73 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 115.107 -0.546 . . . . 0.0 111.616 -173.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -54.58 137.8 73.94 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.307 2.671 . . . . 0.0 111.838 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.1 t -89.05 131.4 41.18 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.368 -170.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.43 ' HD2' HD12 ' A' ' 21' ' ' ILE . 44.0 Cg_exo -38.5 -52.73 1.94 Allowed 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 125.234 3.956 . . . . 0.0 115.373 -172.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.45 -15.71 14.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.847 -167.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 24.3 p -135.87 111.74 9.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.645 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -82.53 49.72 1.51 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.35 60.21 1.12 Allowed Glycine 0 CA--C 1.506 -0.51 0 C-N-CA 120.3 -0.952 . . . . 0.0 113.075 173.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' B' ' 49' ' ' LYS . 51.6 mttm -123.66 -50.87 1.84 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.38 0.609 . . . . 0.0 109.433 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.598 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . 120.97 -36.15 3.43 Favored Glycine 0 N--CA 1.434 -1.497 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -167.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.12 165.68 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 121.279 -1.13 . . . . 0.0 113.323 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 pt -124.02 169.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.113 -1.403 . . . . 0.0 109.687 172.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD22 HD23 ' A' ' 44' ' ' LEU . 2.6 mp -87.4 153.59 21.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -107.18 175.56 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 169.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.28 64.95 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -52.08 -48.76 64.52 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.225 0.536 . . . . 0.0 110.518 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.23 -29.02 73.09 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.798 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -69.11 -35.81 76.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.569 -0.371 . . . . 0.0 111.661 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 m -69.98 -30.44 67.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.616 0.722 . . . . 0.0 110.144 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.5 -17.72 33.44 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.622 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -80.54 -42.98 21.44 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.957 -179.299 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -70.5 -22.88 62.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.954 0.407 . . . . 0.0 110.708 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 71.0 t80 -76.2 -41.06 50.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.395 174.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.625 HG22 HG21 ' C' ' 47' ' ' ILE . 20.2 pt -79.98 -28.23 12.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.393 -176.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.2 mm-40 -55.45 -57.03 13.59 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.675 0.75 . . . . 0.0 109.232 165.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.8 ttmt -78.32 -7.12 56.88 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.245 -1.343 . . . . 0.0 112.962 -163.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.53 -0.9 11.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 117.778 -1.569 . . . . 0.0 114.142 171.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.4 mm? -117.96 -42.27 2.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.478 0.656 . . . . 0.0 110.874 171.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -116.63 -31.91 5.36 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.199 -165.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.1 mtmt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.377 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . 0.431 ' SD ' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.64 6.18 9.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.689 0.756 . . . . 0.0 109.82 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -139.37 140.69 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.765 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.16 171.4 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.256 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.19 -23.43 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.063 0.458 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.03 -4.36 54.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -101.4 2.05 39.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.486 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.5 mt -128.67 -34.1 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.924 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -135.58 142.43 45.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.429 0.633 . . . . 0.0 110.884 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.26 141.53 46.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 131.83 47.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.232 0.539 . . . . 0.0 111.189 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.844 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 1.7 t -65.49 163.56 32.49 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 124.754 1.221 . . . . 0.0 112.093 -178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.844 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -41.47 -42.31 5.62 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.518 2.812 . . . . 0.0 116.221 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.463 ' HD3' HG23 ' B' ' 21' ' ' ILE . 65.4 tttp -144.8 -34.42 0.36 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -156.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.73 ' HB2' ' O ' ' B' ' 20' ' ' GLU . 0.8 OUTLIER -114.79 33.01 5.62 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 120.466 1.484 . . . . 0.0 113.017 -161.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.783 ' CD ' ' HB3' ' B' ' 12' ' ' CYS . 13.3 mm-40 -100.54 42.65 1.1 Allowed 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 123.461 1.601 . . . . 0.0 109.258 -163.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' B' ' 18' ' ' ALA . 2.9 ptm180 -147.21 -24.37 0.39 Allowed 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 111.42 -2.627 . . . . 0.0 106.782 179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -120.45 -36.43 3.21 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.532 -173.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.14 57.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.989 -175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.73 ' O ' ' HB2' ' B' ' 15' ' ' CYS . 6.4 pt-20 -155.17 157.05 36.8 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.09 0.471 . . . . 0.0 110.271 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.612 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 41.4 mt -129.84 113.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 57.41 46.42 18.23 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.056 0.848 . . . . 0.0 111.369 -175.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' HA2' ' OE1' ' B' ' 20' ' ' GLU . . . 63.92 12.12 47.15 Favored Glycine 0 CA--C 1.507 -0.435 0 C-N-CA 119.864 -1.16 . . . . 0.0 112.006 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -124.77 144.72 47.49 Favored Pre-proline 0 C--N 1.309 -1.175 0 CA-C-N 114.706 -0.747 . . . . 0.0 111.425 -171.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -53.49 134.01 55.82 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 123.379 2.72 . . . . 0.0 112.059 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 42.8 t -84.39 131.08 51.47 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.484 -171.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -38.02 -54.11 1.44 Allowed 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 124.943 3.762 . . . . 0.0 115.424 -174.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 -15.41 14.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.35 -168.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.531 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 15.7 p -137.47 114.23 10.49 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 9.8 t -82.11 48.31 1.23 Allowed 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.01 0.433 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.61 61.39 1.11 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.424 172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.43 ' HD3' ' HG2' ' C' ' 49' ' ' LYS . 51.6 mttm -123.83 -50.52 1.83 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.502 0.668 . . . . 0.0 109.226 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.614 ' O ' ' HB3' ' B' ' 16' ' ' GLU . . . 120.77 -36.39 3.37 Favored Glycine 0 N--CA 1.431 -1.673 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 -167.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -130.09 165.63 29.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 121.234 -1.156 . . . . 0.0 113.421 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 32.3 pt -123.93 169.66 15.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.756 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.464 HD22 HD23 ' B' ' 44' ' ' LEU . 2.6 mp -87.77 153.0 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -172.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.9 t -107.02 176.81 5.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.89 -48.02 67.48 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -51.99 -49.13 63.89 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.261 0.553 . . . . 0.0 110.643 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.29 -28.99 73.04 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.914 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -69.14 -35.4 76.32 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.517 -0.402 . . . . 0.0 111.702 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -70.26 -30.82 67.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.631 0.729 . . . . 0.0 110.203 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -86.15 -17.84 33.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.587 -175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -80.44 -43.04 21.61 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.098 -179.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.51 -22.76 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 0.0 110.607 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.431 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 72.0 t80 -76.12 -41.35 50.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.505 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.601 HG22 HG21 ' A' ' 47' ' ' ILE . 19.8 pt -79.83 -28.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.416 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.641 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.8 mm-40 -55.93 -56.18 23.79 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 166.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.509 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.5 ttmt -78.52 -7.61 57.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.414 -1.266 . . . . 0.0 112.864 -163.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -117.36 -1.08 11.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 117.69 -1.604 . . . . 0.0 114.297 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.4 mm? -117.26 -43.42 2.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.541 0.686 . . . . 0.0 110.549 170.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.3 -33.74 5.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.114 -165.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--O 1.244 0.767 0 CA-C-O 118.768 -0.634 . . . . 0.0 110.693 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.4 p -107.95 2.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.782 0.801 . . . . 0.0 110.023 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -136.08 140.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.822 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 172.65 7.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.383 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -61.24 -23.92 65.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.202 0.525 . . . . 0.0 110.881 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.18 -3.68 52.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.013 -174.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -101.48 2.98 39.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.981 0.42 . . . . 0.0 110.419 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -129.85 -34.03 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.83 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -135.57 143.79 45.84 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.735 -174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.76 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.075 178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.26 133.92 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.278 0.561 . . . . 0.0 111.177 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.839 ' HB3' ' CD ' ' C' ' 16' ' ' GLU . 2.6 t -65.13 163.12 33.32 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 124.434 1.094 . . . . 0.0 111.684 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.815 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 31.8 Cg_exo -41.45 -42.28 5.57 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.518 2.812 . . . . 0.0 116.029 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . 0.476 ' HD3' HG23 ' C' ' 21' ' ' ILE . 65.3 tttp -143.21 -35.9 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 -156.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.72 ' HB2' ' O ' ' C' ' 20' ' ' GLU . 1.1 p -115.21 34.06 5.09 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 120.606 1.548 . . . . 0.0 112.912 -160.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.839 ' CD ' ' HB3' ' C' ' 12' ' ' CYS . 12.5 mm-40 -99.91 43.52 1.06 Allowed 'General case' 0 C--N 1.28 -2.445 0 CA-C-O 123.255 1.502 . . . . 0.0 109.042 -163.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -147.24 -26.16 0.39 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 111.563 -2.562 . . . . 0.0 106.689 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.34 -35.91 3.48 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 114.296 -1.32 . . . . 0.0 112.608 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.85 17.43 56.44 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.076 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.72 ' O ' ' HB2' ' C' ' 15' ' ' CYS . 4.4 pt-20 -155.76 157.48 36.6 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.112 0.482 . . . . 0.0 110.419 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.627 ' O ' ' HB ' ' C' ' 24' ' ' THR . 38.3 mt -129.53 112.82 25.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 57.79 47.76 14.9 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.077 0.86 . . . . 0.0 111.257 -176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 11.05 41.43 Favored Glycine 0 CA--C 1.508 -0.4 0 C-N-CA 120.311 -0.947 . . . . 0.0 111.903 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.627 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.3 m -123.97 144.14 44.25 Favored Pre-proline 0 C--N 1.308 -1.218 0 CA-C-N 114.736 -0.732 . . . . 0.0 111.294 -170.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -53.89 135.55 63.51 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.084 2.523 . . . . 0.0 111.958 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.3 t -87.32 130.09 48.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.77 -170.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -36.89 -52.66 1.27 Allowed 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 125.219 3.946 . . . . 0.0 115.657 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.15 -18.91 13.21 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.214 -168.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 31.5 p -131.59 107.56 8.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -80.59 54.02 1.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.091 0.472 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.49 57.59 1.63 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.38 -0.914 . . . . 0.0 112.518 171.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -122.13 -49.39 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.466 0.65 . . . . 0.0 109.755 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.593 ' O ' ' HB3' ' C' ' 16' ' ' GLU . . . 120.03 -36.41 3.45 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -167.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.99 166.07 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 121.305 -1.115 . . . . 0.0 113.118 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 29.6 pt -123.98 170.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.654 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.46 HD22 HD23 ' C' ' 44' ' ' LEU . 2.6 mp -87.79 153.66 21.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.516 0.674 . . . . 0.0 112.798 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 11.2 t -107.38 176.37 5.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.188 169.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . 0.431 ' HB1' ' SD ' ' B' ' 1' ' ' FME . . . -51.92 -49.02 63.91 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -51.51 -48.94 62.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.202 0.525 . . . . 0.0 110.417 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . 0.401 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -68.29 -29.48 73.2 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.84 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.581 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.9 m-85 -69.05 -35.24 76.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.56 -0.376 . . . . 0.0 111.59 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 22.4 m -70.41 -31.01 68.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.627 0.727 . . . . 0.0 110.217 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -86.28 -17.46 34.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.544 -175.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -80.52 -43.09 21.32 Favored 'General case' 0 C--O 1.222 -0.388 0 C-N-CA 120.271 -0.571 . . . . 0.0 109.997 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.6 -22.7 62.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.632 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.426 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 71.7 t80 -76.06 -41.37 50.86 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.514 174.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.625 HG21 HG22 ' A' ' 47' ' ' ILE . 20.4 pt -79.75 -28.01 12.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.442 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.4 mm-40 -55.82 -56.26 22.69 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-O 121.688 0.756 . . . . 0.0 109.296 166.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.512 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 31.7 ttmt -78.2 -8.58 58.5 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 114.248 -1.342 . . . . 0.0 112.852 -163.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -116.86 -1.26 12.05 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 117.718 -1.593 . . . . 0.0 114.18 173.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.4 mm? -117.08 -42.39 2.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.771 170.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -116.09 -32.82 5.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.873 -1.058 . . . . 0.0 112.141 -165.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.512 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.5 mtmt . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.887 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.4 p -105.73 -14.67 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.198 0.523 . . . . 0.0 110.805 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.12 135.98 54.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.47 148.41 46.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.861 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.01 -12.9 58.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.452 -175.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -81.28 -3.54 52.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.365 -177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -103.81 -16.31 15.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.67 -22.57 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.943 0.402 . . . . 0.0 111.205 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -126.05 127.05 45.24 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.407 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.57 141.6 44.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.853 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.597 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.02 130.04 42.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.975 0.417 . . . . 0.0 110.677 -177.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.886 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 43.6 t -63.61 158.84 56.76 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -169.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.886 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 33.4 Cg_exo -37.98 -39.43 0.89 Allowed 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.427 2.751 . . . . 0.0 115.171 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -145.88 -26.77 0.44 Allowed 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 15.2 p -118.66 47.26 1.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -172.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.597 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.58 23.75 2.91 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 122.185 -0.322 . . . . 0.0 111.465 -175.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.93 -15.63 0.36 Allowed 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.63 -39.85 3.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.094 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.29 15.67 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.486 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.504 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 2.2 pt-20 -155.54 161.77 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.649 -0.324 . . . . 0.0 110.357 -175.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.9 mt -141.33 121.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 55.36 42.03 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.76 -174.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.04 10.81 7.45 Favored Glycine 0 CA--C 1.51 -0.257 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.857 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.77 145.41 39.33 Favored Pre-proline 0 N--CA 1.437 -1.111 0 C-N-CA 122.836 0.454 . . . . 0.0 110.444 -172.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.98 126.08 21.07 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.09 2.527 . . . . 0.0 112.291 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -78.28 136.42 60.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.064 -171.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -27.47 -57.34 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.987 1 C-N-CA 126.524 4.816 . . . . 0.0 116.631 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.05 -7.1 7.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.13 0.49 . . . . 0.0 111.823 -167.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -131.53 93.41 3.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 p -75.93 53.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.2 0.524 . . . . 0.0 112.076 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 97.07 47.89 2.16 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.648 -0.787 . . . . 0.0 113.341 173.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -116.0 -47.63 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.773 0.796 . . . . 0.0 108.919 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 119.22 -39.2 2.59 Favored Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.231 -1.147 . . . . 0.0 110.231 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.74 161.11 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.071 0.462 . . . . 0.0 111.819 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 pt -124.93 169.62 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.937 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 2.9 mp -88.46 161.74 16.86 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -174.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 73.3 p -105.74 -177.09 3.26 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.288 172.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.7 89.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.739 0.7 . . . . 0.0 111.269 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.18 -39.11 85.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.88 0.371 . . . . 0.0 110.423 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.96 -32.78 73.67 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.823 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.642 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.7 m-85 -69.96 -34.1 72.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.4 m -69.84 -31.87 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.465 0.65 . . . . 0.0 110.377 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.1 mp -85.48 -21.48 28.65 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.834 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.68 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -78.32 -44.96 23.84 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.428 -0.509 . . . . 0.0 109.681 -176.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.48 -21.26 61.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.486 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 63.7 t80 -75.75 -43.34 47.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.24 173.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.566 HG22 HG21 ' C' ' 47' ' ' ILE . 18.6 pt -79.47 -26.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.312 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.68 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.3 mm-40 -57.87 -59.06 5.82 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 165.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 2.4 ttmp? -77.54 -3.97 43.37 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.364 -165.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -116.8 -1.85 11.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 118.147 -1.421 . . . . 0.0 113.767 169.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.5 mm? -120.67 -55.46 2.01 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.376 0.608 . . . . 0.0 111.027 172.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -106.39 -22.97 12.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.866 -168.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 19.3 mtmt . . . . . 0 C--O 1.245 0.85 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.886 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 p -105.39 -14.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.296 0.57 . . . . 0.0 110.789 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -116.72 135.74 56.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.696 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.72 149.32 45.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.927 173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -14.49 61.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.406 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.51 -2.71 50.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.325 -176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -104.16 -17.55 14.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.31 -22.36 10.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 111.285 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -125.95 127.75 46.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.436 176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.07 140.99 47.03 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.942 -176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.582 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.43 129.71 41.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.934 0.397 . . . . 0.0 110.558 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.926 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 44.2 t -64.58 158.06 69.59 Favored Pre-proline 0 CA--C 1.536 0.406 0 C-N-CA 123.808 0.843 . . . . 0.0 113.198 -168.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.926 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 33.9 Cg_exo -37.33 -37.17 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.515 2.81 . . . . 0.0 115.696 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -148.66 -24.99 0.32 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -166.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.59 44.46 2.27 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -171.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.593 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.14 22.95 3.03 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 122.34 -0.225 . . . . 0.0 111.247 -173.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.438 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -147.52 -15.7 0.38 Allowed 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -176.511 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.438 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -114.94 -37.85 4.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.286 -174.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 87.36 15.92 61.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.308 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -156.58 160.96 39.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 13.7 mt -141.69 123.15 13.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 53.7 42.06 31.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.714 0.634 . . . . 0.0 110.878 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.99 13.58 8.83 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.727 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.9 144.81 41.94 Favored Pre-proline 0 N--CA 1.433 -1.294 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.723 -173.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.78 124.22 15.72 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.099 2.532 . . . . 0.0 112.033 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 44.1 t -77.15 136.59 65.49 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.818 -169.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -28.21 -56.25 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.046 1 C-N-CA 126.412 4.741 . . . . 0.0 116.582 -177.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.13 -6.92 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -168.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 20.1 p -130.31 93.61 3.5 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 6.2 p -76.17 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.289 0.566 . . . . 0.0 111.953 -177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 96.66 50.85 1.76 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.975 174.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -119.02 -47.23 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.593 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 119.04 -38.82 2.72 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.4 161.75 12.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.168 0.509 . . . . 0.0 111.869 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 20.3 pt -125.41 169.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.012 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.465 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 2.8 mp -88.29 160.96 17.42 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -173.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 66.4 p -105.45 -176.44 3.08 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.245 173.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.66 89.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 118.766 0.712 . . . . 0.0 111.161 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.19 -40.07 88.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 110.448 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.41 -32.64 75.79 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.787 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.621 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.3 m-85 -70.22 -33.06 71.21 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 24.0 m -70.3 -32.39 70.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.526 0.679 . . . . 0.0 110.421 176.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.432 ' O ' HG12 ' B' ' 47' ' ' ILE . 6.1 mp -85.37 -21.15 28.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.92 -176.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.5 OUTLIER -78.52 -44.47 24.29 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.714 -176.602 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -71.47 -21.77 61.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.479 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.442 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 63.7 t80 -75.57 -42.92 50.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.214 173.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.564 HG22 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.53 -26.59 12.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.317 -176.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.657 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 85.2 mm-40 -57.54 -59.22 5.49 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 165.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 2.4 ttmp? -77.59 -4.0 43.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.349 -164.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -116.65 -1.49 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 118.124 -1.431 . . . . 0.0 113.789 169.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.5 mm? -120.63 -56.56 1.95 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.45 0.643 . . . . 0.0 110.857 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' B' ' 52' ' ' ASN . 0.3 OUTLIER -105.98 -21.99 13.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.748 -167.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 19.8 mtmt . . . . . 0 C--N 1.316 -0.856 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.096 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.53 -11.33 9.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.519 0.676 . . . . 0.0 110.873 -175.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 tt -119.94 135.26 60.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.525 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.32 44.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.721 173.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -12.87 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.501 -175.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.46 -6.39 58.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.166 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -103.38 -14.73 16.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.908 0.385 . . . . 0.0 110.967 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -115.2 -22.25 9.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.088 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -126.23 128.25 46.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.29 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -126.51 141.89 44.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.93 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.588 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.31 129.52 40.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.486 -178.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.923 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 53.3 t -63.23 158.77 53.97 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.689 -169.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.923 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 34.0 Cg_exo -37.52 -39.07 0.64 Allowed 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.515 2.81 . . . . 0.0 115.005 177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -146.28 -26.86 0.43 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -165.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.478 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 27.8 p -117.75 43.97 2.27 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -169.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.588 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.31 22.45 3.34 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -172.515 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -147.02 -10.29 0.44 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -176.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -120.4 -41.42 2.61 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.894 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.452 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.16 16.38 55.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.779 -177.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -155.58 161.82 40.77 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.676 -0.308 . . . . 0.0 110.304 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 13.0 mt -142.29 122.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 55.47 41.1 31.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.774 -174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.77 11.11 9.67 Favored Glycine 0 CA--C 1.507 -0.436 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.689 -176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 144.45 37.19 Favored Pre-proline 0 N--CA 1.435 -1.219 0 CA-C-N 115.228 -0.486 . . . . 0.0 110.305 -172.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -55.58 128.17 29.23 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.066 2.511 . . . . 0.0 112.059 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 35.4 t -79.83 135.24 55.88 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.639 -169.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 62.7 Cg_exo -28.49 -55.19 0.14 Allowed 'Trans proline' 0 C--N 1.357 0.985 1 C-N-CA 126.326 4.684 . . . . 0.0 117.029 -176.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.8 -8.52 6.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.084 0.468 . . . . 0.0 111.636 -168.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 29.3 p -130.14 91.24 3.08 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.5 p -74.3 53.12 0.5 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 96.9 49.21 1.96 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.012 174.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -117.88 -46.28 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.84 -39.27 2.66 Favored Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -172.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 26.8 m -113.91 161.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.059 0.457 . . . . 0.0 111.934 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 21.5 pt -124.93 169.16 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.943 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.445 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 2.8 mp -88.38 161.22 17.21 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -105.6 -178.6 3.7 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.33 172.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.57 82.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.676 0.671 . . . . 0.0 111.487 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -59.97 -40.07 87.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.826 0.346 . . . . 0.0 110.436 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.51 75.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.835 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.641 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.7 m-85 -69.91 -34.49 73.57 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.291 0.236 . . . . 0.0 111.486 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 24.1 m -69.69 -32.0 70.35 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.501 0.667 . . . . 0.0 110.382 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.44 ' O ' HG12 ' C' ' 47' ' ' ILE . 6.3 mp -85.38 -21.43 28.85 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.911 -177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.659 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.5 OUTLIER -78.34 -44.71 24.42 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.745 -176.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.61 -21.28 61.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.497 . . . . 0.0 110.535 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.465 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 63.5 t80 -75.83 -43.41 46.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.257 173.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.566 HG21 HG22 ' A' ' 47' ' ' ILE . 18.4 pt -79.3 -26.55 12.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.279 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.3 mm-40 -57.64 -59.22 5.53 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 165.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.4 ttmp? -77.61 -3.69 42.15 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.303 -165.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -116.76 -1.21 12.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 118.278 -1.369 . . . . 0.0 113.752 169.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.4 mm? -122.0 -55.88 1.86 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.365 0.603 . . . . 0.0 110.901 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . 0.469 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -106.26 -21.32 13.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.982 -167.611 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.291 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.499 ' SD ' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -106.27 1.51 10.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.692 0.758 . . . . 0.0 109.939 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.452 HG22 ' HG3' ' B' ' 39' ' ' GLN . 14.3 tt -126.64 137.09 58.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.679 -177.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.66 145.25 49.1 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 171.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -62.27 -15.9 50.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.694 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -82.35 -2.04 51.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.496 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.3 -15.69 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 111.022 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -113.04 -13.56 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -132.26 133.74 44.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.156 173.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.51 140.27 49.32 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.35 136.12 56.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.883 0.373 . . . . 0.0 110.504 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' SG ' HG23 ' A' ' 35' ' ' ILE . 1.1 m -60.14 171.33 0.95 Allowed Pre-proline 0 N--CA 1.453 -0.29 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -45.56 -42.69 18.49 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.405 2.736 . . . . 0.0 113.522 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE2' HG23 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -162.84 -1.22 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -173.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.5 p -115.52 39.3 3.01 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 117.673 -1.611 . . . . 0.0 114.023 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.562 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -91.36 35.98 0.93 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.83 -16.75 0.41 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 174.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.07 -26.27 2.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.396 -170.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 78.05 33.8 39.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.728 -0.748 . . . . 0.0 114.222 177.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -151.91 160.15 43.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.31 0.555 . . . . 0.0 111.492 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.464 ' O ' ' HB ' ' A' ' 24' ' ' THR . 33.3 mm -123.37 99.93 7.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 63.69 51.85 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.756 0.66 . . . . 0.0 111.288 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.54 6.51 6.29 Favored Glycine 0 CA--C 1.51 -0.232 0 C-N-CA 120.283 -0.96 . . . . 0.0 112.757 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -119.42 146.13 40.35 Favored Pre-proline 0 N--CA 1.438 -1.065 0 CA-C-N 115.602 -0.299 . . . . 0.0 110.358 -171.351 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -54.24 129.7 35.91 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.427 2.752 . . . . 0.0 112.468 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 47.7 t -83.05 136.59 43.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.148 -172.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 54.1 Cg_exo -32.17 -57.57 0.26 Allowed 'Trans proline' 0 C--N 1.353 0.802 1 C-N-CA 125.586 4.191 . . . . 0.0 115.861 -178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.49 -8.88 9.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 111.981 -167.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 14.5 p -129.07 95.22 4.01 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 p -75.3 51.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 96.53 50.5 1.83 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.828 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -118.28 -47.04 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 118.53 -38.05 3.02 Favored Glycine 0 N--CA 1.435 -1.426 0 N-CA-C 110.281 -1.128 . . . . 0.0 110.281 -172.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -117.75 164.58 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 111.439 -176.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.582 HG23 ' SG ' ' A' ' 12' ' ' CYS . 11.4 pt -125.12 166.65 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.005 173.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' B' ' 50' ' ' HIS . 4.5 mp -88.51 163.87 15.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.51 0.672 . . . . 0.0 112.506 -174.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.417 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 82.7 p -105.44 177.15 4.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.371 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.571 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -56.73 -44.8 81.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 118.596 0.634 . . . . 0.0 111.546 -178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.409 ' HG3' HG22 ' C' ' 3' ' ' ILE . 53.6 tt0 -61.02 -43.42 98.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.891 175.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -29.99 75.17 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.882 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.618 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.2 m-85 -70.2 -33.66 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.541 0.21 . . . . 0.0 111.227 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.1 m -68.94 -31.94 71.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.532 0.682 . . . . 0.0 110.054 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.4 -11.09 50.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.6 OUTLIER -87.64 -43.34 12.03 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.154 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.38 -23.71 61.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.306 0.574 . . . . 0.0 110.148 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -74.02 -41.78 61.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.147 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.644 HG22 HG21 ' C' ' 47' ' ' ILE . 18.8 pt -79.55 -27.89 12.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.984 -178.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.4 mm-40 -55.03 -58.66 6.74 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-O 121.476 0.655 . . . . 0.0 109.866 168.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 32.4 ttmt -78.51 -2.24 37.71 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.858 -1.065 . . . . 0.0 113.107 -164.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.421 ' CE1' HD21 ' C' ' 36' ' ' LEU . 22.0 m80 -117.57 -2.71 11.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 117.797 -1.561 . . . . 0.0 113.904 170.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' C' ' 48' ' ' GLN . 3.6 mm? -118.49 -38.99 3.06 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.613 0.721 . . . . 0.0 110.809 173.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.35 -30.18 4.01 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.045 -166.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.563 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 26.2 mtmt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.316 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . 0.537 ' SD ' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.73 1.84 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 0.0 109.782 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.401 HG22 ' HG3' ' C' ' 39' ' ' GLN . 14.6 tt -127.74 137.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.754 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.69 146.19 48.43 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 171.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -62.18 -16.7 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.185 -175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.88 -1.27 51.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.53 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.28 -17.09 14.97 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.821 0.344 . . . . 0.0 111.093 175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.67 -13.62 14.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.034 0.445 . . . . 0.0 110.586 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.39 133.58 44.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.234 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.7 141.06 47.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.086 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.584 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.74 135.14 55.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.286 0.565 . . . . 0.0 110.536 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.518 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -60.55 172.28 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -171.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 56.3 Cg_exo -46.69 -42.81 23.9 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.989 2.459 . . . . 0.0 113.182 172.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.46 0.71 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 21.0 p -116.4 41.8 2.56 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.713 1.597 . . . . 0.0 113.795 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.584 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.5 OUTLIER -90.71 36.74 0.9 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.747 -176.483 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.62 -19.16 0.37 Allowed 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.12 -24.41 3.43 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -172.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.485 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 76.55 34.72 43.63 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.687 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.524 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 8.1 pt-20 -153.23 159.96 42.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.505 0.669 . . . . 0.0 111.427 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.473 ' O ' ' HB ' ' B' ' 24' ' ' THR . 35.3 mm -123.06 99.73 7.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 64.13 51.02 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.766 0.666 . . . . 0.0 111.321 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.72 7.16 7.48 Favored Glycine 0 CA--C 1.511 -0.194 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.82 -175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -119.84 146.79 42.67 Favored Pre-proline 0 N--CA 1.438 -1.033 0 C-N-CA 122.426 0.29 . . . . 0.0 110.386 -172.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.55 129.23 33.77 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.319 2.679 . . . . 0.0 112.727 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.0 t -82.54 136.51 45.47 Favored Pre-proline 0 N--CA 1.446 -0.667 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 55.0 Cg_exo -32.14 -57.18 0.27 Allowed 'Trans proline' 0 C--N 1.356 0.974 1 C-N-CA 125.789 4.326 . . . . 0.0 116.137 -178.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.55 -8.29 9.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.166 0.508 . . . . 0.0 111.763 -167.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 31.5 p -130.12 95.94 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -75.75 51.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.485 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 97.85 50.28 1.66 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.251 174.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mttm -118.43 -46.15 2.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.627 0.727 . . . . 0.0 109.21 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.59 -38.46 2.95 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 -171.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.1 m -117.25 164.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.986 0.422 . . . . 0.0 111.743 -176.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 12.4 pt -125.21 166.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.985 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.431 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -88.17 164.23 15.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.506 0.67 . . . . 0.0 112.48 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.419 ' O ' ' HD1' ' B' ' 41' ' ' TYR . 81.1 p -105.83 177.23 4.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.459 173.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.499 ' HB1' ' SD ' ' A' ' 1' ' ' FME . . . -56.44 -45.06 80.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.48 0.582 . . . . 0.0 111.408 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.452 ' HG3' HG22 ' A' ' 3' ' ' ILE . 53.7 tt0 -60.76 -44.14 97.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.986 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.7 75.18 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.891 177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.612 ' HA ' HD23 ' B' ' 44' ' ' LEU . 4.4 m-85 -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.57 0.224 . . . . 0.0 111.19 177.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -68.78 -32.31 71.96 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.02 -12.44 47.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.55 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.612 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -86.37 -43.52 12.79 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.237 -179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.31 -23.11 61.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.285 0.564 . . . . 0.0 110.105 -177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -74.16 -42.05 60.56 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.286 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' ILE . 18.8 pt -79.51 -28.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 C-N-CA 119.856 -0.738 . . . . 0.0 110.844 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 78.6 mm-40 -55.06 -56.74 16.4 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.448 0.642 . . . . 0.0 109.731 168.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 33.4 ttmt -77.54 -5.87 51.63 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.632 -1.167 . . . . 0.0 113.004 -164.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.418 ' CE1' HD21 ' A' ' 36' ' ' LEU . 21.9 m80 -116.44 -2.45 12.04 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 117.888 -1.525 . . . . 0.0 113.659 172.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 48' ' ' GLN . 3.5 mm? -119.12 -37.68 3.17 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 173.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.62 -33.16 3.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.012 -166.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.47 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.9 mtmt . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.442 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . 0.571 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -106.25 1.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.62 0.724 . . . . 0.0 109.91 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.409 HG22 ' HG3' ' A' ' 39' ' ' GLN . 14.4 tt -126.43 137.13 58.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.827 -177.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.46 145.68 48.64 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 -16.36 56.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.9 -0.71 49.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.698 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.06 -16.95 15.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.179 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.73 -13.81 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.107 0.48 . . . . 0.0 110.479 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -132.57 132.97 43.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.193 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.2 141.23 46.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.585 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.29 134.95 55.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.856 0.36 . . . . 0.0 110.617 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.565 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.0 OUTLIER -58.13 171.84 0.53 Allowed Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 124.413 1.085 . . . . 0.0 113.508 -172.018 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.565 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 55.5 Cg_exo -46.96 -42.47 25.36 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.169 2.579 . . . . 0.0 113.576 171.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.4 -0.9 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -172.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 7.3 p -116.61 43.47 2.22 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.307 -1.496 . . . . 0.0 113.296 176.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.585 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.5 OUTLIER -91.34 36.09 0.93 Allowed 'General case' 0 C--N 1.309 -1.156 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.623 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.11 -18.41 0.4 Allowed 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.56 -25.31 3.17 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -171.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.428 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 78.79 32.1 42.01 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.994 -1.098 . . . . 0.0 114.066 177.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.7 pt-20 -152.28 160.0 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 111.413 -178.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.541 ' O ' ' HB ' ' C' ' 24' ' ' THR . 34.0 mm -123.0 99.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 175.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 62.94 51.54 2.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.644 0.59 . . . . 0.0 111.421 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.18 9.17 10.42 Favored Glycine 0 CA--C 1.508 -0.353 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.507 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.13 145.97 43.19 Favored Pre-proline 0 N--CA 1.437 -1.088 0 CA-C-N 115.551 -0.325 . . . . 0.0 110.452 -173.125 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -54.46 126.62 22.9 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.289 2.659 . . . . 0.0 113.123 -176.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 50.0 t -78.32 135.24 61.72 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.497 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -31.62 -57.34 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.67 1 C-N-CA 125.945 4.43 . . . . 0.0 116.015 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 -7.84 9.33 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -167.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.7 p -130.28 96.65 4.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.9 p -74.62 50.29 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.428 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 98.2 48.47 1.87 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.244 174.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -116.9 -45.17 2.78 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.542 0.687 . . . . 0.0 109.25 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.53 -39.05 2.75 Favored Glycine 0 N--CA 1.436 -1.354 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 -172.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.9 m -116.14 164.71 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 111.352 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -125.5 166.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.779 173.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.424 HD22 HD23 ' C' ' 44' ' ' LEU . 4.5 mp -88.36 163.88 15.81 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.376 0.608 . . . . 0.0 112.398 -174.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . 0.417 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 71.0 p -105.68 175.95 5.33 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . 0.537 ' HB1' ' SD ' ' B' ' 1' ' ' FME . . . -54.2 -46.35 72.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 118.378 0.535 . . . . 0.0 111.72 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' B' ' 3' ' ' ILE . 53.6 tt0 -60.8 -43.53 98.02 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.981 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.4 -30.02 75.86 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.85 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.616 ' HA ' HD23 ' C' ' 44' ' ' LEU . 4.7 m-85 -70.4 -33.84 71.84 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.274 0.23 . . . . 0.0 111.143 178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 27.6 m -68.52 -32.25 72.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.56 0.695 . . . . 0.0 110.008 174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -87.21 -12.21 47.48 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.575 -177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -86.52 -43.43 12.74 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.073 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.25 -23.55 62.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.285 0.564 . . . . 0.0 110.195 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -74.18 -42.03 60.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.284 175.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.644 HG21 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.53 -27.64 12.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.866 -177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 79.7 mm-40 -55.22 -56.62 17.92 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-O 121.425 0.631 . . . . 0.0 109.571 168.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.492 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 32.8 ttmt -77.57 -6.36 53.42 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.915 -163.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.404 ' CE1' HD21 ' B' ' 36' ' ' LEU . 22.0 m80 -116.52 -2.56 11.97 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 117.968 -1.493 . . . . 0.0 113.818 172.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' B' ' 48' ' ' GLN . 3.5 mm? -118.52 -36.02 3.61 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.537 0.684 . . . . 0.0 111.111 173.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.74 -32.33 2.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.051 -165.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.492 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 21.7 mtmt . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.672 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.51 -3.39 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.517 0.675 . . . . 0.0 110.681 -176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.21 131.59 71.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.118 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.76 148.62 44.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.894 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 m -64.03 -15.13 58.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.21 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.28 -4.35 57.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.434 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.5 -15.68 15.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.951 0.405 . . . . 0.0 110.621 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.95 -17.64 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.151 0.5 . . . . 0.0 110.659 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -134.73 131.65 37.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.836 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.56 141.53 45.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.664 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.92 131.35 47.44 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.193 0.52 . . . . 0.0 110.668 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.814 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -60.6 164.57 6.95 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.903 -169.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.814 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 66.6 Cg_exo -48.21 -33.18 21.05 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.208 2.605 . . . . 0.0 114.306 175.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -149.04 -28.96 0.27 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -168.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 17.5 p -115.7 44.74 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -169.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.664 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.23 27.76 1.82 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -148.98 -20.7 0.3 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 -164.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.58 -34.31 0.77 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.674 -172.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.47 19.13 46.33 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.217 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.6 pt-20 -158.4 166.63 31.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.114 0.483 . . . . 0.0 110.732 -176.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 24' ' ' THR . 32.0 mm -124.2 110.27 25.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 56.24 49.94 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.878 0.371 . . . . 0.0 110.08 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.83 1.54 18.51 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 121.189 -0.529 . . . . 0.0 114.1 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.647 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -121.69 158.29 54.62 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 117.236 0.518 . . . . 0.0 110.942 -174.379 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.606 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.9 Cg_endo -57.46 139.49 90.32 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.283 2.655 . . . . 0.0 112.934 -177.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' HB2' HG12 ' A' ' 21' ' ' ILE . 49.8 t -93.2 137.35 23.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.612 -174.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -29.55 -51.96 0.18 Allowed 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.234 4.623 . . . . 0.0 116.768 -177.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 -6.33 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -168.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 21.0 p -130.75 100.92 5.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -77.04 50.35 0.73 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.94 44.74 3.52 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.92 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' HD3' ' B' ' 49' ' ' LYS . 42.7 mttm -108.68 -44.06 4.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.795 0.807 . . . . 0.0 108.829 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.0 2.9 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -172.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.5 m -115.28 163.69 12.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.034 0.445 . . . . 0.0 111.73 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.1 pt -124.77 165.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.101 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD22 HD23 ' A' ' 44' ' ' LEU . 4.7 mp -87.72 162.79 16.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.509 0.671 . . . . 0.0 112.599 -174.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.0 p -105.12 -178.92 3.79 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.356 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.0 97.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.893 0.77 . . . . 0.0 111.586 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.13 -39.23 85.53 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.512 174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.59 71.1 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.89 -0.672 . . . . 0.0 111.876 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.597 ' HA ' HD23 ' A' ' 44' ' ' LEU . 14.2 m-30 -69.33 -34.53 74.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.393 0.14 . . . . 0.0 110.807 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.6 m -69.12 -34.75 75.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.214 0.53 . . . . 0.0 110.579 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.89 -16.17 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.187 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -83.31 -42.98 16.5 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.169 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.32 -22.6 61.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 110.535 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.79 -43.12 56.43 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.095 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.634 HG22 HG21 ' C' ' 47' ' ' ILE . 20.7 pt -79.61 -29.36 13.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.701 -176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 75.8 mm-40 -54.0 -58.94 5.45 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 121.24 0.543 . . . . 0.0 109.717 167.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 2.9 ttmp? -76.63 -3.3 37.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.886 -164.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.408 ' CE1' HD21 ' C' ' 36' ' ' LEU . 18.5 m80 -117.77 -1.57 11.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 118.471 -1.292 . . . . 0.0 113.545 169.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.2 mm? -122.38 -43.77 2.28 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.124 0.487 . . . . 0.0 111.47 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -122.83 -21.4 5.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -168.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 18.8 mtmt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.817 -0.611 . . . . 0.0 110.189 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.99 -7.47 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.451 0.643 . . . . 0.0 110.455 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -121.62 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.178 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.93 147.11 46.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.988 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -62.81 -16.73 59.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.042 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.58 -2.06 52.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.208 -176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -103.55 -19.22 14.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.399 . . . . 0.0 110.634 175.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -110.07 -17.29 13.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.14 0.495 . . . . 0.0 110.705 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.87 132.29 40.16 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.479 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.82 140.63 47.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.646 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.64 131.95 49.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 110.55 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.807 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.5 OUTLIER -61.69 164.83 8.71 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.915 -168.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.807 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 63.7 Cg_exo -48.79 -31.84 20.64 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.229 2.619 . . . . 0.0 114.558 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -150.88 -28.06 0.21 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -168.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 20.4 p -115.33 43.68 1.98 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -169.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.646 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.53 26.59 1.95 Allowed 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 -179.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.408 ' H ' ' H ' ' B' ' 18' ' ' ALA . 13.0 ptm180 -148.04 -21.63 0.35 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -163.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -135.49 -32.54 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.631 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.2 20.93 47.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.907 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.0 pt-20 -159.99 165.71 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.631 ' O ' HG22 ' B' ' 24' ' ' THR . 28.9 mm -124.71 111.2 27.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.8 47.58 19.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.934 0.397 . . . . 0.0 109.963 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -0.72 24.25 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.072 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.631 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.6 OUTLIER -119.63 158.36 49.59 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 117.165 0.483 . . . . 0.0 110.398 -174.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.623 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.0 Cg_endo -55.56 145.15 71.1 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.962 2.441 . . . . 0.0 112.247 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 48.9 t -97.66 137.85 21.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -174.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.2 Cg_exo -30.1 -54.99 0.2 Allowed 'Trans proline' 0 C--N 1.356 0.942 1 C-N-CA 125.847 4.365 . . . . 0.0 116.402 -177.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.29 -4.96 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 23.9 p -131.21 100.02 5.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.8 p -76.69 52.4 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.051 0.453 . . . . 0.0 112.205 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.85 47.59 3.12 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.734 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.436 ' HB3' ' HD3' ' C' ' 49' ' ' LYS . 42.6 mttm -112.5 -44.63 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' B' ' 16' ' ' GLU . . . 115.59 -38.8 2.96 Favored Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -172.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.8 m -114.65 163.54 11.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.09 0.471 . . . . 0.0 111.722 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.3 pt -124.7 166.01 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.001 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.43 HD22 HD23 ' B' ' 44' ' ' LEU . 4.8 mp -87.52 163.34 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.456 0.646 . . . . 0.0 112.432 -174.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 74.6 p -105.25 -177.61 3.41 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.54 98.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 118.904 0.775 . . . . 0.0 111.43 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.12 -39.22 85.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.861 0.362 . . . . 0.0 110.473 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.6 -29.91 71.16 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.765 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.608 ' HA ' HD23 ' B' ' 44' ' ' LEU . 14.7 m-30 -69.45 -34.14 73.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.377 0.132 . . . . 0.0 110.675 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 42.0 m -69.3 -35.3 75.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.173 0.511 . . . . 0.0 110.651 173.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.55 -16.44 36.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.119 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.608 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.8 OUTLIER -82.88 -43.12 16.94 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.104 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -71.49 -22.41 61.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.337 0.589 . . . . 0.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -74.72 -42.96 57.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.133 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.635 HG21 HG22 ' C' ' 47' ' ' ILE . 20.4 pt -79.73 -29.22 12.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.711 -176.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 75.1 mm-40 -54.12 -59.26 4.89 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 121.152 0.501 . . . . 0.0 109.778 167.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' B' ' 53' ' ' LYS . 2.9 ttmp? -76.39 -3.68 38.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.287 -0.87 . . . . 0.0 112.844 -164.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.412 ' CE1' HD21 ' A' ' 36' ' ' LEU . 18.2 m80 -117.56 -1.51 11.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 118.319 -1.352 . . . . 0.0 113.452 170.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -122.47 -45.23 2.21 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.324 0.511 . . . . 0.0 111.293 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.526 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -120.61 -21.64 6.66 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -168.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.291 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.81 -7.87 9.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 0.0 110.39 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 tt -121.31 131.96 71.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.252 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.89 149.69 43.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.966 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -65.36 -15.35 62.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.789 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.43 -5.1 57.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -102.87 -17.77 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.717 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.54 -17.37 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.111 0.481 . . . . 0.0 110.629 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -134.58 131.67 38.15 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.57 174.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.69 140.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -175.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.626 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.18 131.17 46.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.387 0.613 . . . . 0.0 110.415 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.618 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -60.84 167.36 3.56 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.633 -168.399 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.618 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 71.1 Cg_exo -49.82 -35.66 40.27 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.921 2.414 . . . . 0.0 114.114 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -147.86 -28.5 0.34 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -167.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 26.7 p -115.29 44.04 1.91 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -169.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.626 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.422 ' H ' ' H ' ' C' ' 18' ' ' ALA . 13.2 ptm180 -148.4 -21.9 0.33 Allowed 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 -163.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -135.0 -35.17 0.86 Allowed 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.798 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.98 23.24 35.84 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.179 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.0 pt-20 -158.63 168.12 27.73 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.132 0.492 . . . . 0.0 110.766 -178.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.654 ' O ' HG22 ' C' ' 24' ' ' THR . 35.7 mm -126.25 109.97 22.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.19 48.87 12.13 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.336 0.398 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.77 0.93 15.02 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.998 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.654 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.5 OUTLIER -119.76 157.94 50.97 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 117.297 0.548 . . . . 0.0 110.928 -173.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . 0.57 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 17.7 Cg_endo -56.71 141.06 91.98 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.123 2.549 . . . . 0.0 112.534 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.47 ' HB2' HG12 ' C' ' 21' ' ' ILE . 47.6 t -97.19 138.73 21.23 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -174.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.464 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 43.5 Cg_exo -28.71 -56.11 0.14 Allowed 'Trans proline' 0 C--N 1.357 1.002 1 C-N-CA 126.333 4.689 . . . . 0.0 116.264 -177.215 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.17 -5.09 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.12 0.486 . . . . 0.0 111.97 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 32.0 p -130.39 97.91 4.54 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 5.6 p -76.9 50.95 0.75 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.84 46.85 3.3 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.674 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -110.99 -43.51 3.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.695 0.759 . . . . 0.0 108.964 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.7 -38.65 3.06 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.1 m -116.24 164.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.115 0.483 . . . . 0.0 111.651 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.444 HG23 ' SG ' ' C' ' 12' ' ' CYS . 16.9 pt -124.79 166.69 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.091 173.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.428 HD22 HD23 ' C' ' 44' ' ' LEU . 4.7 mp -87.7 163.88 16.3 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.448 0.642 . . . . 0.0 112.597 -174.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 62.3 p -105.73 -177.98 3.52 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.29 99.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 119.035 0.834 . . . . 0.0 111.364 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.499 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.02 -29.62 72.34 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.884 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.599 ' HA ' HD23 ' C' ' 44' ' ' LEU . 14.5 m-30 -69.58 -34.61 74.4 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.006 -0.114 . . . . 0.0 110.743 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 40.7 m -69.05 -34.62 75.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.156 0.503 . . . . 0.0 110.616 173.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.95 -16.49 35.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.216 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.7 OUTLIER -83.18 -42.68 17.02 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.068 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.4 -22.65 61.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.309 0.576 . . . . 0.0 110.538 -176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -74.7 -43.22 56.23 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.635 HG22 HG21 ' B' ' 47' ' ' ILE . 20.3 pt -79.66 -29.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.772 -176.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 76.5 mm-40 -53.67 -60.2 3.63 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 167.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.493 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 2.3 ttmp? -76.91 -2.39 33.34 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.0 -164.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.417 ' CE1' HD21 ' B' ' 36' ' ' LEU . 18.1 m80 -117.49 -1.67 11.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.336 -1.346 . . . . 0.0 113.534 169.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.2 mm? -122.12 -43.95 2.3 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.301 0.572 . . . . 0.0 111.377 175.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . 0.478 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -121.43 -23.03 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.663 -168.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.493 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 23.6 mtmt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.98 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -104.98 -13.97 8.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.905 0.859 . . . . 0.0 108.754 174.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -112.95 134.26 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 114.821 -1.082 . . . . 0.0 109.811 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.34 151.23 49.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.004 0.431 . . . . 0.0 110.042 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -67.73 -9.8 46.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.498 -174.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.47 -11.32 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.264 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -104.89 -6.65 19.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 6.7 mp -118.18 -19.57 8.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 0.0 110.873 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -140.21 137.79 34.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.408 173.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 p -130.0 148.56 33.18 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.71 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.13 132.74 51.34 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.741 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.778 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 29.3 t -66.88 161.22 63.84 Favored Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 123.777 0.831 . . . . 0.0 112.01 -169.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.778 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 21.0 Cg_exo -32.37 -44.5 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 123.687 2.925 . . . . 0.0 114.767 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.25 1.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -173.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.6 p -117.06 41.27 2.79 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 115.058 -2.657 . . . . 0.0 113.823 176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.71 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.52 26.51 1.45 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -149.43 -26.78 0.28 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.5 -42.04 2.24 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -170.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.79 16.43 39.12 Favored Glycine 0 C--O 1.226 -0.369 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.184 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -158.48 164.85 35.8 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.51 ' O ' ' HB ' ' A' ' 24' ' ' THR . 37.2 mt -142.66 121.05 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.805 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 175.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 58.33 43.4 20.07 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.933 -172.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.04 15.27 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-O 121.806 0.67 . . . . 0.0 112.31 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -121.6 146.3 45.05 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 114.129 -1.036 . . . . 0.0 110.509 -170.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.76 128.88 29.7 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.651 2.234 . . . . 0.0 111.888 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.06 135.38 44.9 Favored Pre-proline 0 CA--C 1.544 0.748 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.636 -167.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -30.67 -57.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.154 1 C-N-CA 126.01 4.474 . . . . 0.0 116.085 -175.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.32 -9.39 9.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -165.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 24.4 p -131.05 94.4 3.58 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.557 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 m -71.89 55.43 0.28 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.16 5.37 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.512 174.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HD2' ' HG3' ' B' ' 49' ' ' LYS . 16.6 mtmt -112.73 -43.18 3.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.486 0.66 . . . . 0.0 109.447 -177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 121.1 -38.48 2.67 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.307 -178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.9 m -116.22 164.81 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -175.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.2 pt -128.17 161.52 36.35 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.869 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 44' ' ' LEU . 4.3 mp -87.9 165.33 15.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -170.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 8' ' ' LEU . 60.9 p -106.82 178.97 4.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.044 -1.435 . . . . 0.0 108.631 173.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -58.39 -45.75 87.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 118.458 0.572 . . . . 0.0 111.8 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.05 -43.52 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.696 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.23 -31.75 78.19 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.001 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' A' ' 44' ' ' LEU . 4.9 m-85 -69.6 -32.22 70.83 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.131 0.172 . . . . 0.0 111.193 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.7 m -71.45 -31.25 66.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.489 0.662 . . . . 0.0 109.95 175.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mp -86.83 -20.09 28.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.677 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -80.57 -43.88 19.9 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.34 -0.544 . . . . 0.0 109.837 -178.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -71.84 -22.75 61.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -74.17 -42.35 60.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.915 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.646 HG22 HG21 ' C' ' 47' ' ' ILE . 20.5 pt -79.18 -26.82 13.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 119.709 -0.797 . . . . 0.0 110.49 -177.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 78.2 mm-40 -55.34 -60.61 3.17 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.27 0.557 . . . . 0.0 109.706 167.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.564 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 15.4 ttpp -78.59 3.09 17.16 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.754 -165.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' NE2' HD21 ' C' ' 36' ' ' LEU . 59.4 m80 -117.16 -2.92 11.57 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 118.244 -1.382 . . . . 0.0 114.144 163.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.3 mm? -123.88 -43.58 2.11 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.779 0.718 . . . . 0.0 111.637 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.467 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.6 OUTLIER -119.89 -20.28 7.6 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.226 -168.01 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.5 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.715 175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . 0.479 ' HB3' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -105.43 -15.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 173.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.6 134.28 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.856 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.2 149.65 49.89 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.071 0.462 . . . . 0.0 109.814 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -67.18 -10.26 48.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.52 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -80.45 -10.36 59.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.223 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -104.97 -8.54 18.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.896 0.379 . . . . 0.0 111.026 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -115.95 -19.65 10.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.937 0.399 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -140.34 139.51 35.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.172 173.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -131.05 148.8 33.0 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.738 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.22 130.67 44.79 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 120.854 0.359 . . . . 0.0 110.64 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.87 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 47.0 t -65.41 159.92 63.12 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.239 1.015 . . . . 0.0 111.803 -169.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.87 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 18.3 Cg_exo -31.09 -44.56 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.18 3.253 . . . . 0.0 114.93 175.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.69 -2.07 0.06 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -172.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 31.4 p -116.67 39.25 3.22 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 117.159 -1.816 . . . . 0.0 113.056 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.738 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.37 25.77 1.84 Allowed 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.652 0.739 . . . . 0.0 109.154 -179.014 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -148.81 -22.77 0.31 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -166.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -126.82 -43.97 1.67 Allowed 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.392 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.06 17.59 34.36 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.652 -0.785 . . . . 0.0 113.262 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -159.58 164.12 34.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.821 0.31 . . . . 0.0 110.402 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.555 ' O ' ' HB ' ' B' ' 24' ' ' THR . 47.0 mt -142.79 117.95 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.817 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.46 44.91 14.29 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.745 -170.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.91 22.17 11.73 Favored Glycine 0 N--CA 1.468 0.802 0 CA-C-O 122.168 0.871 . . . . 0.0 112.813 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.0 OUTLIER -125.83 145.09 50.56 Favored Pre-proline 0 C--N 1.298 -1.67 0 CA-C-N 114.023 -1.089 . . . . 0.0 110.053 -170.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.28 126.62 22.03 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.665 2.243 . . . . 0.0 111.681 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.42 ' SG ' HD12 ' B' ' 21' ' ' ILE . 42.4 t -80.46 135.26 53.59 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.703 -169.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -30.51 -58.68 0.16 Allowed 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 125.95 4.433 . . . . 0.0 116.633 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.56 -11.62 9.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.271 0.558 . . . . 0.0 111.997 -165.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 22.2 p -130.08 93.49 3.5 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -71.57 54.63 0.23 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.62 5.27 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.433 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.409 ' HD2' ' HG3' ' C' ' 49' ' ' LYS . 15.8 mtmt -113.65 -42.21 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' B' ' 16' ' ' GLU . . . 121.7 -38.96 2.47 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.375 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.64 163.62 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -175.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.9 pt -126.94 161.57 33.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.452 175.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.552 HD21 ' NE2' ' C' ' 50' ' ' HIS . 4.5 mp -87.75 166.07 14.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -171.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.427 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.7 p -106.68 -179.87 4.06 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.481 172.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.32 -45.81 92.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 118.634 0.652 . . . . 0.0 111.36 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.24 -41.49 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.799 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.44 87.93 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.001 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.614 ' HA ' HD23 ' B' ' 44' ' ' LEU . 5.4 m-85 -69.85 -32.96 71.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.453 0.168 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 20.3 m -69.76 -31.65 69.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.438 0.637 . . . . 0.0 110.568 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 mp -87.06 -17.03 33.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.333 -176.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.4 OUTLIER -83.47 -44.61 14.55 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.895 -177.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -72.06 -22.24 61.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.344 0.592 . . . . 0.0 109.935 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -74.56 -41.61 60.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.099 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.641 HG21 HG22 ' C' ' 47' ' ' ILE . 19.5 pt -79.45 -26.11 12.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.534 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.581 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -55.65 -60.11 3.9 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.303 0.573 . . . . 0.0 109.692 167.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.574 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 14.0 ttpp -79.22 2.93 19.41 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.104 -165.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.536 ' NE2' HD21 ' A' ' 36' ' ' LEU . 54.6 m80 -117.22 -2.31 11.66 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 118.156 -1.418 . . . . 0.0 114.285 163.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.2 mm? -123.46 -43.28 2.18 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.968 0.804 . . . . 0.0 111.741 176.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -119.22 -21.67 7.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.043 -168.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.574 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.2 mtmt . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.634 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . 0.503 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -106.25 -16.05 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.908 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.2 tt -111.74 134.4 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.906 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.74 148.35 49.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.469 . . . . 0.0 110.134 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.31 -12.06 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.856 -175.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.2 -10.27 59.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 0.0 111.251 -176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -105.4 -6.55 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mp -117.22 -19.89 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.93 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -140.49 138.05 34.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.077 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.39 148.35 33.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -175.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.673 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.52 131.07 46.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.085 0.469 . . . . 0.0 110.641 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.929 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 25.5 t -64.82 161.15 48.55 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 124.022 0.929 . . . . 0.0 112.056 -169.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.929 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 15.6 Cg_exo -32.09 -43.81 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 123.946 3.097 . . . . 0.0 115.152 174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.19 -4.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.91 39.74 2.97 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 117.652 -1.619 . . . . 0.0 112.984 -178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.673 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -89.11 24.4 2.14 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -148.48 -21.3 0.33 Allowed 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -166.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.0 -43.47 1.5 Allowed 'General case' 0 C--N 1.342 0.272 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 -168.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.37 15.84 42.57 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.429 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -158.71 163.38 36.87 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.359 -0.495 . . . . 0.0 109.922 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.54 ' O ' ' HB ' ' C' ' 24' ' ' THR . 51.9 mt -142.59 119.03 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 59.18 44.75 15.33 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.795 1.309 . . . . 0.0 110.805 -170.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.89 16.82 8.28 Favored Glycine 0 C--N 1.339 0.715 0 CA-C-O 121.836 0.687 . . . . 0.0 112.703 -176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.0 OUTLIER -121.75 146.16 45.03 Favored Pre-proline 0 C--N 1.299 -1.591 0 CA-C-N 114.335 -0.933 . . . . 0.0 110.524 -170.384 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -57.97 125.92 20.08 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.962 2.441 . . . . 0.0 112.007 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -79.86 136.11 55.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.858 -169.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -31.61 -57.28 0.24 Allowed 'Trans proline' 0 C--N 1.358 1.073 1 C-N-CA 125.898 4.399 . . . . 0.0 116.464 -176.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.35 -10.0 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.259 0.552 . . . . 0.0 112.317 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 26.6 p -130.7 94.78 3.7 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.4 m -71.29 53.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.03 42.61 5.27 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.395 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.407 ' HD2' ' HG3' ' A' ' 49' ' ' LYS . 16.0 mtmt -113.19 -40.92 3.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.671 . . . . 0.0 109.393 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' C' ' 16' ' ' GLU . . . 120.19 -38.9 2.6 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.338 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.57 164.12 13.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -175.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -127.54 161.07 35.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.732 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.557 HD21 ' NE2' ' A' ' 50' ' ' HIS . 4.5 mp -88.23 165.14 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -170.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . 0.435 ' O ' ' HD2' ' C' ' 41' ' ' TYR . 71.0 p -106.16 179.58 4.23 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.545 173.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' B' ' 1' ' ' FME . . . -60.37 -44.85 95.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 118.842 0.746 . . . . 0.0 111.348 -178.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.49 -41.43 94.25 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.3 -33.75 83.39 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.834 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.62 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -69.71 -33.59 72.72 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.893 -0.181 . . . . 0.0 111.153 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -69.49 -31.17 69.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.357 0.598 . . . . 0.0 110.579 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -87.25 -17.01 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.331 -177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.4 OUTLIER -83.62 -44.69 14.3 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.797 -177.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.96 -21.48 61.59 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.289 0.566 . . . . 0.0 110.059 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -74.39 -42.4 59.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.954 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.646 HG21 HG22 ' A' ' 47' ' ' ILE . 19.4 pt -79.27 -26.4 12.92 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 119.676 -0.809 . . . . 0.0 110.534 -177.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.54 -60.19 3.78 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-O 121.206 0.527 . . . . 0.0 109.595 167.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.573 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 14.1 ttpp -78.99 2.75 19.32 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.021 -0.991 . . . . 0.0 112.837 -166.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.552 ' NE2' HD21 ' B' ' 36' ' ' LEU . 58.9 m80 -117.11 -2.58 11.66 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 118.267 -1.373 . . . . 0.0 114.212 163.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.407 HD21 HG13 ' B' ' 47' ' ' ILE . 3.3 mm? -124.25 -42.49 2.12 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.836 0.744 . . . . 0.0 111.894 176.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . 0.462 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -121.64 -19.23 6.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.163 -167.649 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.573 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.156 -0.926 . . . . 0.0 109.575 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -104.91 5.54 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.525 0.678 . . . . 0.0 110.751 -172.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.47 137.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.598 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.54 160.73 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.242 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -16.34 60.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.023 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.34 -8.17 59.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.752 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -103.83 3.69 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.402 . . . . 0.0 110.488 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -124.93 -34.32 2.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.224 0.535 . . . . 0.0 110.493 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE2' ' NE2' ' B' ' 50' ' ' HIS . 72.2 mt-10 -134.74 143.47 47.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.793 -177.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.88 140.66 48.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.86 135.32 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.193 0.521 . . . . 0.0 110.59 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -63.11 169.26 3.76 Favored Pre-proline 0 CA--C 1.539 0.546 0 CA-C-N 114.928 -1.033 . . . . 0.0 113.277 -170.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.6 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 95.5 Cg_exo -53.05 -33.07 61.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.805 2.337 . . . . 0.0 114.246 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 7.0 tmtm? -150.83 -30.94 0.18 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -165.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HB2' ' H ' ' A' ' 20' ' ' GLU . 23.4 p -116.33 42.67 2.35 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.814 -1.178 . . . . 0.0 114.103 -168.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -90.86 27.24 1.85 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.203 0.525 . . . . 0.0 109.955 -175.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' H ' ' H ' ' A' ' 18' ' ' ALA . 11.6 ptp180 -148.57 -25.09 0.32 Allowed 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -167.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -126.81 -31.94 2.62 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.101 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.93 25.41 41.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.726 -0.749 . . . . 0.0 113.057 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 15' ' ' CYS . 4.1 pt-20 -151.15 159.81 44.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 117.011 0.406 . . . . 0.0 111.447 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.626 ' O ' ' HB ' ' A' ' 24' ' ' THR . 31.1 mm -130.2 109.99 18.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 174.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.52 45.26 10.86 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.172 0.295 . . . . 0.0 111.213 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.49 7.86 11.88 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.257 -0.973 . . . . 0.0 112.563 -176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -119.32 145.53 38.79 Favored Pre-proline 0 C--N 1.305 -1.351 0 C-N-CA 123.426 0.69 . . . . 0.0 110.168 -169.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -54.85 132.97 55.11 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.089 2.526 . . . . 0.0 111.986 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 52.5 t -84.48 136.94 39.37 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -171.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 45.1 Cg_exo -29.13 -52.82 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.111 1 C-N-CA 126.182 4.588 . . . . 0.0 116.021 -177.071 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.15 -6.41 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 111.871 -169.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 30.3 p -132.66 88.79 2.56 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.233 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -76.61 60.17 1.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.96 0.409 . . . . 0.0 111.533 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.88 46.05 2.98 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.838 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mppt? -126.2 -36.35 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 109.76 -39.2 2.99 Favored Glycine 0 N--CA 1.434 -1.456 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.18 164.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.028 0.442 . . . . 0.0 111.777 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.1 pt -127.55 162.84 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.468 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 44' ' ' LEU . 3.0 mp -87.93 157.15 19.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.714 -172.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 t -107.26 176.15 5.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.775 -1.102 . . . . 0.0 108.562 170.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.52 70.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG2' HG22 ' C' ' 3' ' ' ILE . 0.8 OUTLIER -54.33 -52.79 60.43 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.81 -27.87 73.13 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.856 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.512 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.0 m-85 -68.82 -34.19 75.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.532 -0.393 . . . . 0.0 110.908 176.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 m -70.32 -31.53 68.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.443 0.64 . . . . 0.0 110.493 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.9 mp -86.06 -23.11 26.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.094 -174.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD23 HD22 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -77.73 -40.39 41.33 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.125 -179.317 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.052 0.453 . . . . 0.0 110.49 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.483 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 64.2 t80 -75.16 -39.0 60.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.723 175.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.669 HG22 HG21 ' C' ' 47' ' ' ILE . 29.2 pt -78.0 -33.76 18.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.813 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -51.79 -62.21 1.77 Allowed 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.397 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.498 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 30.0 ttmt -77.79 -3.38 41.12 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.473 -1.239 . . . . 0.0 112.831 -161.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.665 ' O ' HD23 ' A' ' 51' ' ' LEU . 90.4 m-70 -117.25 -2.55 11.6 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 117.383 -1.727 . . . . 0.0 113.956 169.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 50' ' ' HIS . 12.4 mt -126.75 -46.76 1.56 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.561 0.619 . . . . 0.0 112.137 174.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -106.56 -25.25 11.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 14.1 mtmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.257 -0.877 . . . . 0.0 109.795 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.17 7.85 9.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.712 0.768 . . . . 0.0 110.644 -173.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.0 tt -149.15 137.56 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.593 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.82 159.41 25.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.859 0.361 . . . . 0.0 110.254 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -63.23 -16.2 59.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.975 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.08 -8.7 59.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.619 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -103.34 1.77 33.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.613 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.9 mt -122.38 -33.7 3.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.321 0.581 . . . . 0.0 110.628 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -134.61 145.87 49.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.749 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -131.18 141.14 46.78 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.6 135.99 56.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.419 . . . . 0.0 110.812 -178.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.716 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -61.33 167.2 4.27 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.644 -171.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.716 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 82.6 Cg_exo -51.64 -31.67 41.55 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.592 2.194 . . . . 0.0 114.342 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.455 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 7.0 tmtm? -151.2 -30.42 0.18 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -164.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 15.5 p -117.34 43.39 2.35 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -168.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.51 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.07 27.32 1.89 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 109.894 -176.278 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' B' ' 18' ' ' ALA . 11.3 ptp180 -148.93 -24.09 0.31 Allowed 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -166.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -128.57 -32.84 2.13 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.965 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.72 23.12 43.66 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.434 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 5.9 pt-20 -149.36 159.61 44.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.109 0.455 . . . . 0.0 111.135 -175.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.572 ' O ' ' HB ' ' B' ' 24' ' ' THR . 29.8 mm -130.42 109.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.11 46.01 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.354 0.409 . . . . 0.0 110.998 -177.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.57 8.9 10.56 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.733 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.2 m -119.94 145.37 39.54 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 114.75 -0.725 . . . . 0.0 110.202 -170.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.33 133.36 55.64 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.155 2.57 . . . . 0.0 111.725 -176.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.484 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 51.1 t -84.65 137.48 38.57 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -170.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.427 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 49.3 Cg_exo -29.25 -52.41 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 126.103 4.535 . . . . 0.0 115.942 -177.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.82 -3.79 4.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.906 0.384 . . . . 0.0 111.967 -169.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.484 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 18.0 p -133.25 90.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.054 0.454 . . . . 0.0 109.888 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.4 t -77.35 57.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.417 . . . . 0.0 111.28 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 49.92 2.19 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.909 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -127.89 -36.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.22 -39.24 2.97 Favored Glycine 0 N--CA 1.434 -1.45 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -114.94 164.87 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.22 0.534 . . . . 0.0 111.837 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 pt -128.02 162.5 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.453 174.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.542 HD22 HD23 ' B' ' 44' ' ' LEU . 2.9 mp -87.79 157.65 18.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -107.89 176.6 5.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.505 170.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.97 69.5 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.47 -52.3 62.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.41 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -66.05 -28.07 73.38 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.907 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.516 ' HA ' HD23 ' B' ' 44' ' ' LEU . 13.4 m-85 -68.59 -33.99 75.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.37 -0.488 . . . . 0.0 111.023 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -70.43 -31.77 69.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.355 0.597 . . . . 0.0 110.554 174.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.547 ' O ' HG23 ' B' ' 47' ' ' ILE . 7.0 mp -86.14 -23.04 26.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.542 HD23 HD22 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -77.74 -40.83 39.73 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.138 -179.437 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.94 -24.04 62.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.009 0.433 . . . . 0.0 110.445 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.445 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 64.8 t80 -75.21 -39.62 59.93 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 175.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.678 HG21 HG22 ' C' ' 47' ' ' ILE . 28.6 pt -77.91 -34.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 119.119 -1.032 . . . . 0.0 109.666 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -50.91 -62.1 1.81 Allowed 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.503 0.668 . . . . 0.0 109.52 170.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 30.9 ttmt -77.48 -4.37 45.18 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.472 -1.24 . . . . 0.0 112.944 -162.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.672 ' O ' HD23 ' B' ' 51' ' ' LEU . 91.5 m-70 -116.6 -2.71 11.89 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 117.499 -1.68 . . . . 0.0 113.853 170.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.672 HD23 ' O ' ' B' ' 50' ' ' HIS . 12.6 mt -127.29 -45.77 1.52 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.605 0.639 . . . . 0.0 112.208 174.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.55 -25.21 11.47 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -172.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.8 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.383 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -105.2 7.77 9.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.581 0.705 . . . . 0.0 110.602 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.401 HG22 ' HG2' ' A' ' 39' ' ' GLN . 16.6 tt -149.02 137.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.527 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.0 159.41 24.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.132 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -64.97 -14.85 61.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.669 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.69 -7.86 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.816 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.96 3.72 33.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.716 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.26 -33.41 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.35 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -135.68 144.31 45.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.005 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -129.89 140.89 47.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.64 135.08 55.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.721 0.295 . . . . 0.0 110.865 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.717 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.4 OUTLIER -59.12 167.58 2.0 Allowed Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.879 0.872 . . . . 0.0 112.917 -172.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.717 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 89.4 Cg_exo -52.64 -32.33 53.98 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.792 2.328 . . . . 0.0 114.089 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . 0.439 ' HD2' HD13 ' C' ' 21' ' ' ILE . 6.6 tmtm? -149.14 -33.14 0.21 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -165.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 23.2 p -116.53 44.78 1.94 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -167.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.549 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -91.4 26.33 2.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.26 0.553 . . . . 0.0 110.01 -176.703 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.439 ' H ' ' H ' ' C' ' 18' ' ' ALA . 11.7 ptp180 -148.06 -21.98 0.35 Allowed 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -165.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.439 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -130.64 -32.39 1.7 Allowed 'General case' 0 C--N 1.343 0.283 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.108 -176.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.3 20.9 50.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.447 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 4.0 pt-20 -147.36 158.46 43.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.215 0.507 . . . . 0.0 111.148 -174.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.629 ' O ' ' HB ' ' C' ' 24' ' ' THR . 29.2 mm -129.81 110.0 18.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 175.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.62 46.15 15.03 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.145 0.278 . . . . 0.0 110.864 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.85 9.54 10.63 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.807 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -119.64 145.22 38.64 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.661 -0.77 . . . . 0.0 110.094 -170.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -54.62 132.34 50.88 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.774 2.316 . . . . 0.0 111.658 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 52.9 t -82.72 138.14 43.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -171.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 51.6 Cg_exo -30.01 -53.46 0.2 Allowed 'Trans proline' 0 C--N 1.358 1.078 1 C-N-CA 125.959 4.439 . . . . 0.0 115.907 -178.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.64 -2.94 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -169.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 16.8 p -133.7 91.05 2.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.985 0.421 . . . . 0.0 109.918 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -76.79 58.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.088 0.471 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.66 47.44 2.73 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.947 172.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -125.8 -37.08 2.33 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 110.9 -39.32 2.94 Favored Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' C' ' 11' ' ' ALA . 34.0 m -114.37 164.63 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.063 0.459 . . . . 0.0 111.723 -176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 18.0 pt -128.09 162.54 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.456 174.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.539 HD22 HD23 ' C' ' 44' ' ' LEU . 2.9 mp -87.71 157.36 19.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.699 0.761 . . . . 0.0 112.918 -172.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -108.05 176.23 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.493 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.76 -44.9 70.38 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -172.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.24 -52.61 60.78 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . 0.423 ' O ' ' HZ ' ' A' ' 46' ' ' PHE . . . -66.0 -27.87 73.2 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.975 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.515 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.1 m-85 -68.71 -33.91 74.74 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.433 -0.451 . . . . 0.0 110.863 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 11.8 m -70.32 -31.88 69.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.318 0.58 . . . . 0.0 110.512 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.559 ' O ' HG23 ' C' ' 47' ' ' ILE . 6.9 mp -86.01 -23.01 27.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.18 -174.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.539 HD23 HD22 ' C' ' 36' ' ' LEU . 1.0 OUTLIER -77.91 -40.49 39.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.076 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.07 -24.24 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.463 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 64.5 t80 -75.25 -38.98 60.3 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.717 175.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.678 HG22 HG21 ' B' ' 47' ' ' ILE . 28.9 pt -78.18 -34.05 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 119.246 -0.982 . . . . 0.0 109.771 -178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -51.13 -62.36 1.66 Allowed 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.331 169.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.513 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 30.4 ttmt -77.13 -4.81 46.4 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.483 -1.235 . . . . 0.0 112.658 -161.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.694 ' O ' HD23 ' C' ' 51' ' ' LEU . 93.6 m-70 -116.55 -2.82 11.9 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 117.547 -1.661 . . . . 0.0 114.009 171.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.694 HD23 ' O ' ' C' ' 50' ' ' HIS . 12.2 mt -127.19 -45.72 1.53 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.552 0.615 . . . . 0.0 112.332 174.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -107.77 -24.2 11.78 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.513 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 13.0 mtmt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.104 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.22 12.93 8.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.65 0.738 . . . . 0.0 110.385 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -148.04 142.07 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.526 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.29 161.46 21.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.875 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 m -65.66 -15.02 62.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.077 0.465 . . . . 0.0 110.837 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.02 -5.27 58.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -102.12 -5.37 24.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.92 -26.33 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.083 0.468 . . . . 0.0 110.561 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -137.69 146.43 43.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.979 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -128.67 139.33 52.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.298 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.86 133.95 54.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.89 0.376 . . . . 0.0 110.778 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.82 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 11.2 t -64.85 157.08 77.08 Favored Pre-proline 0 CA--C 1.537 0.462 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -169.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.82 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 45.5 Cg_exo -38.82 -35.3 0.5 Allowed 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.611 2.874 . . . . 0.0 114.851 177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -146.55 -29.77 0.38 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -167.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 p -119.33 46.91 1.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -167.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.08 24.74 2.71 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -173.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.81 -17.98 0.31 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 -174.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.27 -42.08 2.93 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.647 -171.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' CA ' ' HA2' ' A' ' 31' ' ' GLY . . . 95.16 10.09 57.58 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.072 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 5.5 pt-20 -151.06 164.43 36.46 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.983 0.42 . . . . 0.0 110.352 -175.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' HG22 ' A' ' 24' ' ' THR . 19.9 mt -143.62 124.27 9.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 173.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.55 45.75 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.574 0.546 . . . . 0.0 110.473 -172.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 59.46 8.28 6.85 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.14 -0.552 . . . . 0.0 114.183 -178.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -119.81 153.76 54.84 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 117.694 0.747 . . . . 0.0 111.393 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 17.3 Cg_endo -54.32 122.83 12.2 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.21 2.607 . . . . 0.0 111.18 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 47.1 t -75.82 140.71 71.08 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.468 -168.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.2 Cg_exo -26.23 -52.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 1 C-N-CA 126.327 4.685 . . . . 0.0 116.691 -177.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -132.75 -3.5 3.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.319 0.58 . . . . 0.0 112.147 -169.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.57 89.75 2.75 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -73.08 54.04 0.38 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.13 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.466 ' HA2' ' CA ' ' A' ' 19' ' ' GLY . . . 91.75 50.58 2.67 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.314 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -126.53 -38.96 2.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 115.33 -39.32 2.8 Favored Glycine 0 N--CA 1.434 -1.493 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.4 163.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.224 0.535 . . . . 0.0 112.273 -175.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 pt -125.44 157.29 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.214 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD22 HD23 ' A' ' 44' ' ' LEU . 4.5 mp -88.38 159.27 18.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.441 0.639 . . . . 0.0 112.502 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.32 176.08 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.226 172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -51.61 -47.21 63.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -58.37 -47.07 85.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 111.215 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.1 -27.58 73.5 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.779 -0.725 . . . . 0.0 111.718 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.537 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.8 m-85 -70.43 -33.01 70.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.939 -0.154 . . . . 0.0 111.358 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -70.25 -33.86 72.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.366 0.603 . . . . 0.0 110.628 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.8 mp -86.23 -16.14 38.62 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.73 -175.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.64 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.45 -41.58 16.47 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.551 -179.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -69.91 -24.97 63.46 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.198 0.523 . . . . 0.0 110.514 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.07 -41.08 59.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.162 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.622 HG22 HG21 ' C' ' 47' ' ' ILE . 22.7 pt -80.46 -28.85 11.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.683 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 80.7 mm-40 -56.56 -59.03 5.58 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 121.261 0.553 . . . . 0.0 110.047 168.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 12.5 ttpt -77.42 0.9 20.78 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.542 -166.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -117.94 -1.44 11.48 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.401 -1.32 . . . . 0.0 113.797 165.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 47' ' ' ILE . 3.4 mm? -125.56 -37.5 2.34 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.394 0.543 . . . . 0.0 112.396 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.5 OUTLIER -128.08 -20.4 3.79 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -168.076 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.6 mtmt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.253 -0.88 . . . . 0.0 109.174 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.65 10.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.705 0.764 . . . . 0.0 110.209 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -147.32 141.41 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.6 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.33 22.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.704 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -64.85 -13.86 57.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.233 0.54 . . . . 0.0 110.968 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.18 -5.87 58.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.807 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -102.71 -4.86 24.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.944 0.402 . . . . 0.0 110.938 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.22 -26.58 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.055 0.455 . . . . 0.0 110.696 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -137.53 146.0 43.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.993 -176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.04 139.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.196 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.21 135.02 55.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.861 0.362 . . . . 0.0 110.779 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.842 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 28.3 t -66.72 155.64 88.8 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.842 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 44.0 Cg_exo -36.85 -35.82 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.725 2.95 . . . . 0.0 115.156 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -146.77 -29.46 0.38 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -166.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 14.2 p -118.18 46.96 1.68 Allowed 'General case' 0 C--O 1.243 0.721 0 O-C-N 120.683 -1.26 . . . . 0.0 114.387 -169.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.607 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.98 24.36 2.46 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.828 0.346 . . . . 0.0 110.766 -174.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.406 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.34 -21.26 0.33 Allowed 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -174.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -114.89 -40.51 3.51 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.384 -171.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.424 ' CA ' ' HA2' ' B' ' 31' ' ' GLY . . . 93.3 11.61 58.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.112 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.7 pt-20 -150.71 165.09 34.51 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 120.999 0.428 . . . . 0.0 110.172 -175.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.533 ' O ' HG22 ' B' ' 24' ' ' THR . 24.6 mt -145.37 123.45 4.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.35 46.42 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.735 0.647 . . . . 0.0 110.773 -171.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.32 12.9 6.48 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 114.137 0.415 . . . . 0.0 114.137 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 21' ' ' ILE . 0.5 OUTLIER -122.88 152.53 62.81 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 117.23 0.515 . . . . 0.0 111.465 -173.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.439 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 17.1 Cg_endo -54.7 118.71 5.4 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.21 2.607 . . . . 0.0 111.444 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.519 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 45.2 t -73.54 140.77 79.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.984 -1.007 . . . . 0.0 112.573 -169.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.519 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.6 Cg_exo -25.1 -57.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.079 1 C-N-CA 126.387 4.725 . . . . 0.0 116.321 -177.041 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.42 -4.31 5.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.152 0.501 . . . . 0.0 111.739 -168.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 29.4 p -130.96 89.93 2.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.2 m -73.35 55.64 0.47 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.104 -176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.424 ' HA2' ' CA ' ' B' ' 19' ' ' GLY . . . 92.18 46.71 3.51 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.71 173.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -123.91 -37.94 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 114.44 -39.24 2.87 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.03 163.07 12.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.107 0.48 . . . . 0.0 112.171 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.9 157.25 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.262 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.507 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -88.42 159.73 17.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.61 0.719 . . . . 0.0 112.65 -170.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 9.4 t -106.62 175.44 5.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.624 -1.171 . . . . 0.0 108.352 172.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.74 63.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -174.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -58.81 -46.39 87.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.319 . . . . 0.0 111.408 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.69 -27.56 73.59 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.481 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.551 ' HA ' HD23 ' B' ' 44' ' ' LEU . 7.3 m-85 -70.23 -33.69 71.97 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.039 -0.094 . . . . 0.0 111.157 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -69.98 -33.59 72.26 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.392 0.615 . . . . 0.0 110.643 173.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.35 -16.66 36.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.601 -175.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -84.16 -41.9 16.55 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.413 -179.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -69.93 -24.67 63.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.145 0.497 . . . . 0.0 110.514 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -75.31 -41.09 57.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.285 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.604 HG21 HG22 ' C' ' 47' ' ' ILE . 22.8 pt -80.38 -28.84 12.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.615 -177.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.9 mm-40 -56.49 -58.99 5.65 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 121.333 0.587 . . . . 0.0 110.038 168.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 12.1 ttpt -77.64 0.95 21.29 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.593 -166.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -117.82 -1.41 11.55 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.347 -1.341 . . . . 0.0 113.854 165.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.451 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.4 mm? -125.18 -37.28 2.42 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.398 0.545 . . . . 0.0 112.286 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -128.97 -20.01 3.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -167.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.542 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 12.2 mtmt . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.304 -0.855 . . . . 0.0 109.466 175.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . 0.441 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.8 p -106.48 9.22 9.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.672 0.749 . . . . 0.0 110.244 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -145.89 141.17 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.578 -177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.89 161.01 22.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.636 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -64.89 -14.2 58.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 110.825 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -81.93 -6.52 59.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.783 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -101.36 -5.43 25.39 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.781 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.22 -26.25 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 110.66 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -137.71 146.81 44.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.959 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -128.73 139.45 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.317 177.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.568 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.81 134.15 54.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.91 0.386 . . . . 0.0 110.755 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.864 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 6.2 t -66.29 157.18 82.77 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -169.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.864 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.3 Cg_exo -37.84 -38.3 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.648 2.899 . . . . 0.0 114.635 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -144.45 -29.82 0.47 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -166.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 p -117.51 46.85 1.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.568 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.43 24.76 2.48 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.758 0.313 . . . . 0.0 111.087 -175.251 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.45 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -148.42 -22.37 0.33 Allowed 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 -174.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.45 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -113.69 -39.19 4.09 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.908 -171.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' C' ' 31' ' ' GLY . . . 90.17 12.89 61.11 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.586 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.76 162.87 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -174.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.57 HD12 ' SG ' ' C' ' 26' ' ' CYS . 24.5 mt -145.94 125.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.84 43.87 30.33 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.677 0.611 . . . . 0.0 110.822 -172.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.98 7.68 7.06 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 121.091 -0.576 . . . . 0.0 114.116 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.51 HG22 ' O ' ' C' ' 21' ' ' ILE . 0.6 OUTLIER -119.89 152.94 54.61 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 117.339 0.569 . . . . 0.0 110.854 -175.042 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 16.0 Cg_endo -54.56 123.49 13.79 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.225 2.617 . . . . 0.0 111.385 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.621 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 46.5 t -78.37 140.64 60.69 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.076 -0.965 . . . . 0.0 112.7 -168.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.621 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 67.6 Cg_exo -25.82 -54.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 126.534 4.822 . . . . 0.0 116.647 -175.466 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.03 -4.3 3.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.049 0.452 . . . . 0.0 111.903 -168.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 22.2 p -130.91 90.55 2.91 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 6.8 m -74.19 54.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 112.124 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' C' ' 19' ' ' GLY . . . 92.83 46.97 3.27 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.569 174.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -124.09 -38.76 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 114.93 -39.06 2.9 Favored Glycine 0 N--CA 1.435 -1.417 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.63 163.05 12.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.213 0.53 . . . . 0.0 112.183 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 22.6 pt -125.84 157.3 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.364 172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.51 HD22 HD23 ' C' ' 44' ' ' LEU . 4.6 mp -88.57 158.71 18.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.591 0.71 . . . . 0.0 112.67 -170.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.4 174.91 5.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.182 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.93 62.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -58.51 -46.41 86.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.763 0.316 . . . . 0.0 111.369 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.11 -27.58 73.65 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.594 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.543 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.1 m-85 -70.37 -32.6 70.35 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.883 -0.187 . . . . 0.0 111.279 175.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 10.4 m -70.48 -33.84 71.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.377 0.608 . . . . 0.0 110.703 172.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.26 -16.6 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 -175.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.649 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.496 -179.372 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.0 -25.27 63.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.108 0.48 . . . . 0.0 110.548 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.99 -40.79 60.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.12 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.622 HG21 HG22 ' A' ' 47' ' ' ILE . 23.6 pt -80.55 -29.0 11.81 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.661 -177.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.649 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.8 mm-40 -56.43 -59.21 5.3 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 121.356 0.598 . . . . 0.0 109.996 168.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.549 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 12.1 ttpt -77.44 1.01 20.44 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.357 -167.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -118.02 -1.47 11.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 118.388 -1.325 . . . . 0.0 113.975 165.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.448 HD23 ' O ' ' C' ' 47' ' ' ILE . 3.4 mm? -125.43 -36.85 2.42 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.358 0.526 . . . . 0.0 112.366 176.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . 0.432 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -128.83 -20.54 3.5 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -167.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.549 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 12.9 mtmt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.284 -0.865 . . . . 0.0 109.057 175.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.2 -2.72 9.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.491 0.663 . . . . 0.0 109.919 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 8' ' ' LEU . 18.9 tt -128.7 135.5 62.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.262 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.92 155.8 37.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.149 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -65.41 -9.04 21.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.901 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.36 -13.41 59.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.43 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -105.18 3.65 30.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.203 0.525 . . . . 0.0 110.205 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 75.3 mt -119.32 -29.61 5.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.994 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -143.2 145.79 33.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.933 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.55 146.45 31.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.705 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.647 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.64 135.84 56.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.215 0.531 . . . . 0.0 111.464 -176.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.595 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -64.57 172.59 2.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 -170.701 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 39.3 Cg_exo -41.3 -46.7 5.6 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 123.621 2.881 . . . . 0.0 113.74 170.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.2 0.94 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.025 1.121 . . . . 0.0 114.025 -174.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.656 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 11.4 p -114.67 37.75 3.33 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 117.893 -1.523 . . . . 0.0 114.229 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.647 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.35 22.23 3.48 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 121.186 0.517 . . . . 0.0 110.214 -178.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.23 -11.3 0.42 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.01 -33.81 1.13 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.667 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 82.48 23.15 57.18 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.972 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -146.17 163.4 35.5 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.59 0.71 . . . . 0.0 110.799 -179.296 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' A' ' 24' ' ' THR . 34.1 mm -128.62 108.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 171.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 60.28 47.4 9.15 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 123.228 0.33 . . . . 0.0 111.085 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.45 9.21 29.83 Favored Glycine 0 N--CA 1.468 0.805 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.665 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -123.29 145.58 46.88 Favored Pre-proline 0 C--N 1.304 -1.387 0 CA-C-N 114.378 -0.911 . . . . 0.0 110.52 -169.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.14 131.54 43.92 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.906 2.404 . . . . 0.0 112.154 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 49.6 t -81.41 135.0 50.57 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -171.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -32.64 -58.75 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.767 1 C-N-CA 125.892 4.395 . . . . 0.0 116.059 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.86 -11.39 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.412 -167.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.579 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 17.9 p -129.41 90.98 3.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 m -74.39 54.15 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.958 -0.464 . . . . 0.0 112.11 -174.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 94.43 46.86 2.91 Favored Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.75 176.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -117.05 -42.23 2.95 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.79 -38.28 3.3 Favored Glycine 0 N--CA 1.439 -1.114 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 11' ' ' ALA . 31.1 m -117.24 165.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.888 0.375 . . . . 0.0 111.545 -176.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.595 HG23 ' SG ' ' A' ' 12' ' ' CYS . 3.3 pt -124.28 160.38 28.75 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.953 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 HD23 ' A' ' 44' ' ' LEU . 4.0 mp -86.28 167.72 14.56 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 113.137 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.0 p -104.44 179.98 4.11 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.115 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.04 99.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.462 0.574 . . . . 0.0 110.492 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.34 -42.43 98.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.504 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.43 69.84 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.595 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.622 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.1 m-85 -69.65 -33.78 73.09 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.6 m -69.3 -32.06 70.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.537 0.684 . . . . 0.0 109.693 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.73 -22.06 26.23 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.867 -174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -80.61 -44.16 19.38 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.313 -177.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.71 -23.51 60.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.202 0.525 . . . . 0.0 110.75 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' C' ' 8' ' ' LEU . 66.1 t80 -75.14 -38.81 60.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.358 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.585 HG21 HG22 ' B' ' 47' ' ' ILE . 20.3 pt -79.29 -29.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.353 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 58.7 mm-40 -56.4 -56.99 14.35 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.982 169.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 53' ' ' LYS . 24.1 ttmm -78.34 1.08 23.06 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -167.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.414 ' NE2' HD21 ' C' ' 36' ' ' LEU . 69.8 m80 -116.56 -1.95 12.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 118.224 -1.39 . . . . 0.0 114.232 167.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.433 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -120.45 -39.67 2.75 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.442 0.639 . . . . 0.0 111.114 174.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -29.86 3.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.46 -166.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.557 ' HE2' ' HB3' ' A' ' 48' ' ' GLN . 7.2 mtmm . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.964 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -105.07 -3.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.796 0.808 . . . . 0.0 109.85 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.41 HD11 HD11 ' B' ' 8' ' ' LEU . 18.7 tt -127.47 135.4 63.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.382 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.63 156.46 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.116 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m -66.4 -7.3 18.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.928 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.52 -14.19 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.24 -178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -105.16 3.99 30.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.5 . . . . 0.0 110.188 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.41 HD11 HD11 ' B' ' 3' ' ' ILE . 75.3 mt -120.35 -30.15 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 -178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -143.18 145.26 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.918 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.31 146.91 31.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.612 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.11 135.93 56.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.242 0.544 . . . . 0.0 111.536 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.614 ' SG ' HG23 ' B' ' 35' ' ' ILE . 0.8 OUTLIER -63.39 173.09 1.31 Allowed Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -170.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -41.15 -48.04 5.06 Favored 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 123.571 2.847 . . . . 0.0 113.451 170.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 -0.03 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -173.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.7 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 7.5 p -113.75 38.65 2.89 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 118.167 -1.413 . . . . 0.0 114.303 177.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.612 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.82 22.65 3.48 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.432 -179.065 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -8.33 0.48 Allowed 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.78 -35.48 0.87 Allowed 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.344 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.02 59.18 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.218 -0.992 . . . . 0.0 113.073 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -143.13 164.32 30.47 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 179.522 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.426 ' O ' ' HB ' ' B' ' 24' ' ' THR . 30.2 mm -129.61 109.52 18.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 CA-C-N 114.426 -1.261 . . . . 0.0 108.008 171.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 58.85 49.0 10.41 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.43 0.456 . . . . 0.0 110.833 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.19 12.4 37.55 Favored Glycine 0 N--CA 1.466 0.654 0 C-N-CA 120.963 -0.636 . . . . 0.0 112.466 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 0.9 OUTLIER -127.97 144.74 52.57 Favored Pre-proline 0 C--N 1.308 -1.22 0 CA-C-N 114.304 -0.948 . . . . 0.0 111.1 -169.6 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.88 132.55 50.47 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.676 2.251 . . . . 0.0 111.808 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 48.6 t -82.74 135.18 46.12 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.745 -171.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -33.15 -59.7 0.25 Allowed 'Trans proline' 0 C--N 1.353 0.772 1 C-N-CA 125.555 4.17 . . . . 0.0 115.992 -178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.71 -11.16 11.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.392 -167.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.585 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 14.6 p -129.25 90.71 3.06 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -74.74 54.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.882 -0.511 . . . . 0.0 112.014 -174.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.05 2.53 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.629 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -119.1 -43.26 2.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.8 -38.5 3.16 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' B' ' 11' ' ' ALA . 31.1 m -117.3 165.4 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.814 0.34 . . . . 0.0 111.647 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.614 HG23 ' SG ' ' B' ' 12' ' ' CYS . 3.4 pt -124.49 159.98 29.79 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.026 175.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.438 HD22 HD23 ' B' ' 44' ' ' LEU . 4.0 mp -86.3 167.14 15.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.828 0.823 . . . . 0.0 113.122 -171.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 33.4 p -104.06 -179.75 4.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.269 -1.332 . . . . 0.0 107.936 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.06 99.58 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 118.465 0.575 . . . . 0.0 110.425 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.8 -42.91 98.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.436 174.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.58 -31.61 70.88 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.781 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.621 ' HA ' HD23 ' B' ' 44' ' ' LEU . 3.0 m-85 -69.66 -33.88 73.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 19.3 m -69.37 -31.78 70.4 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.575 0.703 . . . . 0.0 109.654 174.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.97 -21.69 26.03 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.827 -174.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.04 -44.55 17.88 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.31 -177.557 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.56 -23.55 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 110.564 -176.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 66.6 t80 -74.89 -39.01 61.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.398 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.585 HG22 HG21 ' A' ' 47' ' ' ILE . 21.1 pt -79.19 -29.06 13.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.434 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.574 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 57.8 mm-40 -56.64 -57.36 12.72 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.941 169.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.604 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 23.3 ttmm -78.8 1.91 21.65 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.883 0.698 . . . . 0.0 112.883 -167.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.439 ' NE2' HD21 ' A' ' 36' ' ' LEU . 69.0 m80 -116.51 -1.27 12.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 118.323 -1.351 . . . . 0.0 114.067 165.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -121.44 -37.43 2.91 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.524 0.602 . . . . 0.0 111.428 174.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.411 ' OD1' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -128.45 -25.81 2.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.676 -166.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.604 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 5.3 mtmm . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -105.47 -6.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.576 0.703 . . . . 0.0 109.856 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.427 HD11 HD11 ' C' ' 8' ' ' LEU . 18.9 tt -124.19 135.13 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.479 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.16 154.61 39.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.194 174.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -64.8 -9.47 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.013 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.85 -12.22 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.403 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -104.99 3.31 30.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.115 0.483 . . . . 0.0 110.252 176.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 46' ' ' PHE . 76.2 mt -119.79 -29.97 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 -178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -142.94 145.2 32.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.055 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.38 147.56 31.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.652 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.08 133.71 52.23 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.14 0.495 . . . . 0.0 111.853 -176.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.807 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -61.5 172.08 1.13 Allowed Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.766 1.227 . . . . 0.0 113.757 -171.122 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.807 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 39.2 Cg_exo -40.8 -46.32 4.83 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 123.916 3.077 . . . . 0.0 114.503 170.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.77 0.4 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.727 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 8.3 p -115.51 40.18 2.79 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 120.745 -1.222 . . . . 0.0 113.84 176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.652 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.56 22.38 3.5 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.888 0.375 . . . . 0.0 110.242 -179.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.88 -8.61 0.47 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -173.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.18 -33.33 1.02 Allowed 'General case' 0 C--N 1.348 0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.51 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.43 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 82.62 19.3 64.11 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.983 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.727 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 0.3 OUTLIER -142.62 163.71 32.09 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.568 0.699 . . . . 0.0 110.909 -178.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.449 ' O ' ' HB ' ' C' ' 24' ' ' THR . 30.5 mm -128.79 109.55 19.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 59.47 49.07 9.05 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 123.261 0.351 . . . . 0.0 110.943 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.33 12.57 32.51 Favored Glycine 0 C--N 1.341 0.836 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.636 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 0.9 OUTLIER -128.53 145.95 58.04 Favored Pre-proline 0 C--N 1.31 -1.147 0 CA-C-N 114.309 -0.946 . . . . 0.0 111.267 -169.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -58.22 130.74 39.31 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.701 2.268 . . . . 0.0 112.248 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 46.5 t -80.2 133.89 56.54 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.477 -171.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -32.57 -60.24 0.2 Allowed 'Trans proline' 0 CA--C 1.539 0.734 1 C-N-CA 125.334 4.023 . . . . 0.0 115.963 -178.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.17 -12.02 12.57 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 111.721 -166.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 14.6 p -129.78 93.13 3.45 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 9.3 m -74.47 54.11 0.57 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.034 0.445 . . . . 0.0 112.163 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 94.98 47.07 2.73 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.842 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -116.7 -42.16 3.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 113.21 -38.86 3.05 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -177.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' C' ' 11' ' ' ALA . 30.7 m -116.81 165.0 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.742 0.306 . . . . 0.0 111.488 -176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.63 159.87 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.389 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.882 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.426 HD22 HD23 ' C' ' 44' ' ' LEU . 4.0 mp -86.17 168.02 14.37 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -170.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 37.1 p -104.24 179.79 4.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.259 175.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.28 99.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.436 0.562 . . . . 0.0 110.406 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -60.79 -42.3 97.32 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.392 174.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.15 -31.47 69.2 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.803 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.623 ' HA ' HD23 ' C' ' 44' ' ' LEU . 3.1 m-85 -69.98 -32.62 70.94 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 19.2 m -69.99 -32.32 70.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.509 0.671 . . . . 0.0 109.805 173.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.4 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.5 mp -86.76 -22.31 26.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.919 -174.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -80.21 -44.52 19.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.392 -177.729 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.7 -23.58 60.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.686 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' B' ' 8' ' ' LEU . 65.8 t80 -75.33 -38.77 60.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.34 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.582 HG21 HG22 ' A' ' 47' ' ' ILE . 21.4 pt -79.09 -29.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.419 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.553 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 58.8 mm-40 -56.16 -57.54 11.74 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.853 168.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.567 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 23.9 ttmm -78.65 1.86 21.4 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.419 ' NE2' HD21 ' B' ' 36' ' ' LEU . 70.5 m80 -116.46 -2.05 12.12 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 118.027 -1.469 . . . . 0.0 113.811 166.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.448 HD21 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -120.65 -41.58 2.57 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.276 0.56 . . . . 0.0 111.186 174.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.48 -25.5 4.04 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.424 -166.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 9.4 mtmm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.136 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.479 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.412 HG12 ' OE1' ' B' ' 39' ' ' GLN . 9.9 p -107.55 9.86 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 122.172 0.986 . . . . 0.0 108.866 174.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.33 133.64 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.867 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.42 149.68 44.74 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -61.2 -20.1 62.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.677 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -82.31 -3.49 55.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.152 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -102.85 -17.5 15.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 111.07 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -113.41 -12.22 13.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.2 0.524 . . . . 0.0 110.272 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -135.19 136.79 42.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.75 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.66 147.42 32.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.689 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.26 134.06 53.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.035 0.445 . . . . 0.0 110.91 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.932 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 t -67.74 162.31 58.95 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 124.184 0.994 . . . . 0.0 111.774 -171.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.932 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 24.2 Cg_exo -34.94 -42.79 0.36 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 123.773 2.982 . . . . 0.0 114.85 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.56 -3.3 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -171.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 8.1 p -119.35 44.11 2.44 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.309 -1.356 . . . . 0.0 113.968 177.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.689 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -89.14 20.54 3.64 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 120.625 0.25 . . . . 0.0 111.261 -175.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.87 -13.58 0.27 Allowed 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 -174.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.42 -52.42 2.77 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -168.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 12.93 39.88 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.409 -173.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 4.5 pt-20 -164.82 171.8 13.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.011 0.434 . . . . 0.0 110.154 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 24' ' ' THR . 48.1 mt -140.15 124.46 18.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 170.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 53.47 43.49 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.667 0.605 . . . . 0.0 111.23 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' OE1' ' A' ' 20' ' ' GLU . . . 66.4 5.92 31.45 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.474 -0.87 . . . . 0.0 113.287 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -124.83 159.31 59.17 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 117.569 0.685 . . . . 0.0 111.237 -176.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.61 ' HD2' ' OG1' ' A' ' 24' ' ' THR . 19.4 Cg_endo -56.63 134.03 61.78 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 123.051 2.501 . . . . 0.0 112.117 176.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.86 133.59 43.21 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.772 -172.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -28.22 -57.62 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 1 C-N-CA 126.215 4.61 . . . . 0.0 116.242 -176.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.1 -12.51 12.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.827 0.676 . . . . 0.0 112.827 -166.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' HB3' ' CG2' ' A' ' 35' ' ' ILE . 19.8 p -127.58 -1.61 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.383 -0.927 . . . . 0.0 113.047 -176.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t 64.34 -64.88 0.14 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.57 30.16 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -167.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 47.0 mtmt -100.87 -28.12 12.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.247 0.546 . . . . 0.0 109.76 -176.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.27 -39.76 2.78 Favored Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.492 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.81 165.23 11.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 O-C-N 122.525 -0.397 . . . . 0.0 111.486 -176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 29' ' ' CYS . 22.2 pt -127.01 159.46 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.516 175.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 44' ' ' LEU . 5.1 mp -87.83 164.87 15.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.654 0.74 . . . . 0.0 112.627 -174.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.403 ' O ' ' HD1' ' A' ' 41' ' ' TYR . 69.8 p -105.07 173.91 6.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.058 173.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -55.57 -46.07 77.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 118.537 0.608 . . . . 0.0 110.994 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' OE1' HG12 ' C' ' 2' ' ' VAL . 50.6 tp60 -50.27 -53.75 26.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.658 172.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.48 -30.36 77.66 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.469 -0.787 . . . . 0.0 113.227 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.5 m-85 -70.51 -32.2 69.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.052 0.426 . . . . 0.0 111.583 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.3 m -69.54 -30.65 68.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.463 0.649 . . . . 0.0 110.036 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -87.14 -13.91 42.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.574 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -84.86 -43.21 14.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.033 178.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.59 -23.2 62.53 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 121.32 0.581 . . . . 0.0 110.309 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.14 -43.06 58.9 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.321 175.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.639 HG21 HG22 ' B' ' 47' ' ' ILE . 17.9 pt -79.23 -28.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.983 -176.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 20.2 mm-40 -55.46 -55.47 31.41 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.679 168.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 26.3 ttmt -77.02 -6.24 51.88 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.904 -165.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.45 ' CE1' HD21 ' C' ' 36' ' ' LEU . 20.3 m80 -116.46 -1.57 12.22 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.494 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 47' ' ' ILE . 3.6 mm? -118.32 -49.58 2.48 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.69 0.757 . . . . 0.0 110.521 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' A' ' 52' ' ' ASN . 0.2 OUTLIER -113.08 -30.28 7.04 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.87 -1.059 . . . . 0.0 112.484 -167.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 20.0 mtmt . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.478 -0.772 . . . . 0.0 110.527 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . 0.493 ' HB3' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.68 9.25 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.177 0.989 . . . . 0.0 109.002 174.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.09 134.37 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.016 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.15 148.98 46.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.178 0.513 . . . . 0.0 110.038 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -60.53 -20.33 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.545 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -82.52 -3.23 55.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.4 -173.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -103.68 -16.76 15.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.88 -12.48 13.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.542 . . . . 0.0 110.3 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -135.27 136.66 41.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.785 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.93 146.93 33.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.692 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.5 133.11 51.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.095 0.474 . . . . 0.0 110.897 -177.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.953 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 8.5 t -65.4 163.26 34.24 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 123.831 0.852 . . . . 0.0 112.166 -171.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.953 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 27.4 Cg_exo -35.93 -43.17 0.63 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 123.516 2.81 . . . . 0.0 114.912 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.49 -3.96 0.06 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -171.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.484 ' O ' ' HA2' ' B' ' 33' ' ' GLY . 7.6 p -118.48 43.96 2.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 117.85 -1.54 . . . . 0.0 113.638 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.692 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -89.33 19.95 4.1 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 122.197 -0.314 . . . . 0.0 111.527 -175.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.7 -13.07 0.33 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -174.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.78 -52.46 2.76 Favored 'General case' 0 C--N 1.343 0.299 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -167.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.02 12.74 41.93 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.128 -1.034 . . . . 0.0 112.34 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 3.8 pt-20 -165.39 171.78 13.01 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.237 0.541 . . . . 0.0 110.296 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.669 ' O ' HG22 ' B' ' 24' ' ' THR . 44.8 mt -141.12 125.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 53.28 43.07 31.96 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 123.713 0.633 . . . . 0.0 111.0 -176.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.46 7.16 31.93 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.299 -0.953 . . . . 0.0 113.558 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.669 HG22 ' O ' ' B' ' 21' ' ' ILE . 1.2 t -125.24 157.85 65.93 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 117.451 0.626 . . . . 0.0 111.043 -175.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.571 ' HD2' ' OG1' ' B' ' 24' ' ' THR . 18.3 Cg_endo -55.72 134.96 67.14 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.689 2.259 . . . . 0.0 111.746 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 9.9 t -86.79 134.09 38.13 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.375 -0.83 . . . . 0.0 113.015 -172.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -27.12 -59.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 1 C-N-CA 126.068 4.512 . . . . 0.0 116.339 -175.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.9 -12.87 12.61 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -166.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' B' ' 35' ' ' ILE . 21.4 p -126.81 -1.88 6.62 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.443 -0.903 . . . . 0.0 113.066 -176.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 40.8 t 64.51 -65.07 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.643 0.589 . . . . 0.0 112.486 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.97 35.17 0.04 OUTLIER Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -168.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 47.5 mtmt -105.13 -29.3 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.41 0.624 . . . . 0.0 109.981 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 112.18 -39.78 2.76 Favored Glycine 0 N--CA 1.437 -1.29 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.543 176.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -115.07 164.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.913 0.387 . . . . 0.0 111.254 -175.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' B' ' 29' ' ' CYS . 21.0 pt -126.74 159.76 35.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.45 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.493 HD22 HD23 ' B' ' 44' ' ' LEU . 5.2 mp -87.61 165.52 15.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.515 0.674 . . . . 0.0 112.472 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -105.36 173.94 6.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.168 173.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 1' ' ' FME . . . -55.33 -46.21 76.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.457 0.572 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.412 ' OE1' HG12 ' A' ' 2' ' ' VAL . 48.0 tp60 -50.29 -53.34 29.28 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.723 172.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.19 77.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.26 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' B' ' 44' ' ' LEU . 5.0 m-85 -70.55 -32.61 70.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.992 0.396 . . . . 0.0 111.552 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 46.9 m -69.15 -31.12 69.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 173.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 mp -86.9 -13.6 44.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.437 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.568 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.6 OUTLIER -85.02 -43.38 14.0 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.047 178.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -70.71 -22.97 62.38 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.3 0.572 . . . . 0.0 110.303 -176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -74.08 -43.3 58.2 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.325 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' ILE . 17.7 pt -79.34 -28.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.879 -176.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 19.9 mm-40 -55.4 -55.83 27.11 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.463 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 27.8 ttmt -77.31 -5.51 49.78 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.047 -165.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.451 ' CE1' HD21 ' A' ' 36' ' ' LEU . 20.3 m80 -116.51 -2.0 12.1 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 118.067 -1.453 . . . . 0.0 113.381 171.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 47' ' ' ILE . 3.6 mm? -117.78 -51.12 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.782 0.801 . . . . 0.0 110.421 173.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.9 -28.54 8.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.48 -167.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 22.5 mtmt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.438 -0.792 . . . . 0.0 110.719 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . 0.548 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . 0.473 HG12 ' OE1' ' A' ' 39' ' ' GLN . 9.9 p -106.49 10.54 9.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 122.239 1.019 . . . . 0.0 108.932 174.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 tt -140.38 133.88 34.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.733 178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.85 150.92 45.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.068 0.461 . . . . 0.0 110.042 177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -61.9 -20.2 63.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.533 -174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.15 -4.16 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.35 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.24 -15.35 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.916 0.388 . . . . 0.0 110.972 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.6 -11.9 12.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.274 0.559 . . . . 0.0 110.421 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -135.75 137.29 41.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.786 174.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.46 146.55 33.45 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.35 133.45 52.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.07 0.462 . . . . 0.0 110.774 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.944 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 9.0 t -66.32 162.78 45.41 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 124.24 1.016 . . . . 0.0 111.808 -170.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.944 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 23.5 Cg_exo -35.06 -43.36 0.42 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.83 3.02 . . . . 0.0 114.851 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . 0.406 ' HE3' HG23 ' C' ' 21' ' ' ILE . 0.0 OUTLIER -161.08 -4.1 0.05 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.459 ' O ' ' HA2' ' C' ' 33' ' ' GLY . 14.4 p -118.18 43.32 2.48 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 117.845 -1.542 . . . . 0.0 114.179 177.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.66 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -88.82 20.16 3.67 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 120.694 0.283 . . . . 0.0 111.165 -174.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -14.7 0.33 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 -174.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.77 -52.67 2.74 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.5 13.05 39.48 Favored Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.266 -0.968 . . . . 0.0 112.543 -172.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -164.54 172.69 12.93 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 122.799 0.44 . . . . 0.0 109.942 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.576 ' O ' HG22 ' C' ' 24' ' ' THR . 45.3 mt -141.9 125.46 15.54 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 53.42 43.24 31.61 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.71 0.631 . . . . 0.0 111.067 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.21 11.4 39.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.412 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.589 ' OG1' ' HD2' ' C' ' 25' ' ' PRO . 0.8 OUTLIER -128.28 157.63 73.84 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 117.435 0.618 . . . . 0.0 111.26 -178.582 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . 0.589 ' HD2' ' OG1' ' C' ' 24' ' ' THR . 19.2 Cg_endo -56.56 133.67 59.48 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.06 2.507 . . . . 0.0 112.067 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.87 134.38 41.68 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.804 -172.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -28.37 -59.3 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.774 1 C-N-CA 126.119 4.546 . . . . 0.0 116.19 -176.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.42 -12.97 13.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -166.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.402 ' HB3' ' CG2' ' C' ' 35' ' ' ILE . 20.7 p -127.08 -2.4 6.43 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.357 -0.937 . . . . 0.0 113.054 -176.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 42.6 t 64.29 -65.19 0.13 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.21 31.43 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -168.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.416 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 46.4 mtmt -101.97 -28.97 12.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.377 0.608 . . . . 0.0 109.891 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.5 -39.84 2.75 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.458 177.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.04 164.74 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.9 0.381 . . . . 0.0 111.587 -176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' C' ' 29' ' ' CYS . 22.0 pt -127.14 159.36 37.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.505 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.488 HD22 HD23 ' C' ' 44' ' ' LEU . 5.2 mp -87.64 165.43 15.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.52 0.676 . . . . 0.0 112.499 -173.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . 0.405 ' O ' ' HD1' ' C' ' 41' ' ' TYR . 74.6 p -105.24 174.52 5.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.154 173.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' B' ' 1' ' ' FME . . . -56.36 -45.43 80.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 118.627 0.649 . . . . 0.0 110.902 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -50.41 -53.54 28.62 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.793 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.34 77.68 Favored Glycine 0 CA--C 1.52 0.399 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.235 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.557 ' HA ' HD23 ' C' ' 44' ' ' LEU . 5.3 m-85 -70.53 -32.49 69.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.031 0.415 . . . . 0.0 111.601 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 56.3 m -69.31 -31.02 69.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.492 0.663 . . . . 0.0 109.981 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mp -87.01 -13.5 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.509 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -85.11 -43.33 13.97 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.001 179.014 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -70.78 -23.29 62.36 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.232 0.539 . . . . 0.0 110.182 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -73.96 -43.0 59.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.315 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.625 HG21 HG22 ' A' ' 47' ' ' ILE . 17.6 pt -79.26 -27.83 13.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.959 -177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 20.3 mm-40 -55.77 -55.39 32.98 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.667 168.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.448 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 27.4 ttmt -77.49 -5.33 49.61 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.903 -165.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.459 ' CE1' HD21 ' B' ' 36' ' ' LEU . 20.5 m80 -116.79 -1.92 11.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.14 -1.424 . . . . 0.0 113.627 171.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.435 HD23 ' O ' ' C' ' 47' ' ' ILE . 3.6 mm? -117.96 -47.33 2.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.777 0.799 . . . . 0.0 110.726 173.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -30.06 6.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.405 -167.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.445 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 19.6 mtmt . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.858 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.543 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -106.51 6.64 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.235 1.017 . . . . 0.0 108.99 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 tt -138.44 131.93 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.218 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.26 150.22 42.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.196 0.522 . . . . 0.0 110.271 178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -63.92 -17.91 63.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.296 -175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.94 -4.45 56.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.128 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.33 -15.84 15.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 0.0 111.207 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.51 -16.77 12.8 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.034 0.445 . . . . 0.0 110.654 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' OE2' ' NE2' ' B' ' 50' ' ' HIS . 96.7 mt-10 -133.12 135.68 45.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.123 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.76 142.02 45.07 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.535 ' HB1' ' CB ' ' A' ' 16' ' ' GLU . . . -63.66 135.21 56.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -59.56 166.88 2.81 Favored Pre-proline 0 N--CA 1.455 -0.204 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -170.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -46.67 -34.51 15.52 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 123.066 2.511 . . . . 0.0 113.824 172.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' CE ' HG23 ' A' ' 21' ' ' ILE . 58.5 tttp -154.49 -24.93 0.12 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -166.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 5.7 p -117.9 45.14 2.03 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -172.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.711 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -89.9 26.61 1.77 Allowed 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -172.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 -15.67 0.35 Allowed 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.13 -31.14 5.12 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.829 -176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 88.02 12.79 65.36 Favored Glycine 0 C--O 1.218 -0.899 0 C-N-CA 120.316 -0.945 . . . . 0.0 113.35 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.664 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 6.3 mm-40 -162.45 169.18 20.82 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.559 ' O ' ' HB ' ' A' ' 24' ' ' THR . 25.8 mt -135.46 122.79 35.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -175.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 56.48 44.29 24.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.108 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.92 5.34 39.06 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.382 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.7 m -120.77 141.4 32.36 Favored Pre-proline 0 C--N 1.303 -1.428 0 CA-C-N 114.366 -0.917 . . . . 0.0 111.343 -169.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.664 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 18.2 Cg_endo -57.01 128.33 29.45 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.778 2.318 . . . . 0.0 111.744 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 44.3 t -80.45 139.09 51.48 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.074 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 71.0 Cg_exo -31.39 -58.05 0.21 Allowed 'Trans proline' 0 C--N 1.362 1.251 1 C-N-CA 125.838 4.359 . . . . 0.0 115.964 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.01 -5.75 6.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.759 -165.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 21.3 p -129.17 87.11 2.51 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 m -73.58 52.61 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.974 0.416 . . . . 0.0 112.051 -176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 99.79 52.72 1.17 Allowed Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.916 174.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' B' ' 49' ' ' LYS . 28.2 mtmm -127.99 -41.53 1.62 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 117.136 0.468 . . . . 0.0 109.853 175.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.711 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 112.37 -38.6 3.18 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.4 m -115.2 167.39 7.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.21 0.528 . . . . 0.0 111.649 -175.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.499 HG23 ' SG ' ' A' ' 12' ' ' CYS . 6.6 pt -127.41 160.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.836 172.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD22 HD23 ' A' ' 44' ' ' LEU . 4.5 mp -86.94 165.08 16.15 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.355 0.598 . . . . 0.0 112.383 -172.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.1 p -105.2 174.44 5.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 174.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -54.15 -43.52 70.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.48 0.582 . . . . 0.0 111.958 -176.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.33 -44.58 95.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.694 0.283 . . . . 0.0 110.803 175.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.52 -29.93 73.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.0 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' HA ' HD23 ' A' ' 44' ' ' LEU . 12.2 m-85 -68.82 -35.08 76.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.605 0.24 . . . . 0.0 111.094 177.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.8 m -70.26 -31.85 69.41 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.376 0.608 . . . . 0.0 110.325 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.6 mp -87.06 -13.04 45.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.098 -176.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.673 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -90.65 -43.3 10.25 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.038 -177.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.61 -19.14 62.16 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.505 -0.747 . . . . 0.0 109.79 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -75.13 -43.76 50.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.362 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.74 HD13 HD21 ' B' ' 51' ' ' LEU . 1.5 pp -80.47 -22.34 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 118.724 -1.19 . . . . 0.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 81.1 mm-40 -57.84 -60.35 3.84 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 166.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 28.9 ttmt -77.3 -0.69 26.44 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.512 -166.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.41 ' NE2' ' OE2' ' C' ' 9' ' ' GLU . 75.5 m-70 -118.49 -2.25 11.08 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 118.37 -1.332 . . . . 0.0 113.912 166.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD21 HD13 ' C' ' 47' ' ' ILE . 2.6 mm? -125.01 -55.27 1.59 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.34 0.518 . . . . 0.0 111.243 174.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.47 -12.43 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -167.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 2.3 mtmm . . . . . 0 C--O 1.25 1.088 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . 0.554 ' HB3' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.26 7.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.301 1.048 . . . . 0.0 108.944 174.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -139.44 131.63 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.42 -1.263 . . . . 0.0 109.338 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.55 148.81 44.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.095 0.474 . . . . 0.0 110.191 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -62.85 -17.94 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.385 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -82.01 -4.57 57.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.758 -175.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -103.69 -15.53 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.415 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -112.58 -15.71 12.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.068 0.461 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.409 ' OE2' ' NE2' ' C' ' 50' ' ' HIS . 96.7 mt-10 -133.9 135.29 43.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.211 176.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -128.23 142.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' B' ' 16' ' ' GLU . . . -64.05 134.22 54.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.004 0.43 . . . . 0.0 110.371 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.66 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.94 165.57 4.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -170.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.66 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 61.9 Cg_exo -44.88 -35.21 9.58 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.171 2.581 . . . . 0.0 114.169 174.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -154.72 -25.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -165.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.506 ' HB3' ' CG1' ' B' ' 21' ' ' ILE . 20.5 p -117.31 44.62 2.07 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -171.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.704 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.98 26.18 2.2 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -170.304 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 -13.54 0.43 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.3 -34.15 3.92 Favored 'General case' 0 C--N 1.343 0.287 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.879 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.429 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 92.89 10.99 59.43 Favored Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.124 -1.036 . . . . 0.0 113.735 -178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.623 ' OE1' ' HA ' ' B' ' 25' ' ' PRO . 6.5 mm-40 -163.69 170.49 16.97 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -172.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.537 ' O ' ' HB ' ' B' ' 24' ' ' THR . 27.0 mt -137.52 122.69 24.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -174.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 57.93 43.2 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.739 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.57 5.33 29.54 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.08 140.21 29.54 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 114.182 -1.009 . . . . 0.0 110.967 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.623 ' HA ' ' OE1' ' B' ' 20' ' ' GLU . 18.3 Cg_endo -56.51 127.26 25.2 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.935 2.423 . . . . 0.0 112.394 -176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.447 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 53.2 t -80.94 137.89 49.95 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 69.7 Cg_exo -31.29 -56.66 0.23 Allowed 'Trans proline' 0 C--N 1.357 1.023 1 C-N-CA 125.916 4.411 . . . . 0.0 116.313 -178.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.52 -6.3 6.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.5 . . . . 0.0 111.83 -166.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 31.1 p -129.97 86.68 2.43 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.3 m -74.3 54.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.154 0.502 . . . . 0.0 111.946 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 100.3 50.32 1.34 Allowed Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.179 173.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' C' ' 49' ' ' LYS . 28.8 mtmm -125.97 -39.82 2.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.425 0.613 . . . . 0.0 110.044 175.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.704 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.33 -38.81 3.12 Favored Glycine 0 N--CA 1.437 -1.273 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.0 m -115.0 167.39 7.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.058 0.456 . . . . 0.0 111.705 -175.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 7.3 pt -127.3 160.49 36.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.718 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.427 HD22 HD23 ' B' ' 44' ' ' LEU . 4.6 mp -86.84 165.5 15.92 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.508 0.67 . . . . 0.0 112.543 -172.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.6 p -105.29 174.33 5.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.31 174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 1' ' ' FME . . . -55.37 -43.02 74.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 118.505 0.593 . . . . 0.0 111.791 -176.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.21 -43.92 95.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 174.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.22 -30.22 71.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.964 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.582 ' HA ' HD23 ' B' ' 44' ' ' LEU . 12.9 m-85 -68.9 -34.2 75.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.571 0.224 . . . . 0.0 111.114 177.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -70.79 -31.88 68.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.397 0.617 . . . . 0.0 110.335 175.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.567 ' O ' HG13 ' B' ' 47' ' ' ILE . 4.7 mp -86.92 -13.62 44.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.09 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -90.28 -43.39 10.4 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 120.644 -0.423 . . . . 0.0 109.957 -177.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.73 -18.73 62.12 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.707 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -75.29 -44.0 48.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.449 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.746 HD13 HD21 ' C' ' 51' ' ' LEU . 1.6 pp -80.46 -22.57 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 C-N-CA 118.7 -1.2 . . . . 0.0 111.104 -178.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 79.4 mm-40 -57.28 -60.98 2.81 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 166.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.635 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 28.3 ttmt -77.45 -0.28 25.38 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.479 -166.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.411 ' NE2' ' OE2' ' A' ' 9' ' ' GLU . 74.4 m-70 -118.08 -1.91 11.33 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 118.538 -1.265 . . . . 0.0 114.023 165.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.74 HD21 HD13 ' A' ' 47' ' ' ILE . 2.6 mm? -125.6 -56.05 1.51 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.402 0.546 . . . . 0.0 111.117 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -109.7 -11.33 14.75 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -167.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.635 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 2.5 mtmm . . . . . 0 C--O 1.246 0.918 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . 0.482 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.13 2.96 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 122.281 1.039 . . . . 0.0 108.844 175.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.03 131.94 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.408 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.77 149.15 44.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.166 0.508 . . . . 0.0 110.389 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -62.48 -17.9 60.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.402 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.67 -5.36 58.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.138 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -103.15 -15.83 15.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mp -112.52 -16.58 12.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.053 0.454 . . . . 0.0 110.813 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.41 ' OE2' ' NE2' ' A' ' 50' ' ' HIS . 96.4 mt-10 -133.25 134.09 43.52 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.368 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.15 142.45 43.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' C' ' 16' ' ' GLU . . . -64.07 133.96 54.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.034 0.445 . . . . 0.0 110.375 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.639 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -58.9 166.89 2.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -170.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.639 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 76.0 Cg_exo -47.37 -33.61 17.2 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.051 2.501 . . . . 0.0 114.021 173.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . 0.402 ' CE ' HG23 ' C' ' 21' ' ' ILE . 58.8 tttp -154.84 -25.26 0.12 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -166.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.55 45.42 1.93 Allowed 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -172.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.695 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -90.07 27.02 1.7 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.139 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.9 -15.37 0.36 Allowed 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.99 -33.92 4.58 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.871 -177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.26 10.52 60.79 Favored Glycine 0 C--O 1.217 -0.953 0 C-N-CA 119.952 -1.118 . . . . 0.0 113.518 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.64 ' OE1' ' HA ' ' C' ' 25' ' ' PRO . 6.6 mm-40 -162.83 169.49 19.76 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -172.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.568 ' O ' ' HB ' ' C' ' 24' ' ' THR . 21.2 mt -136.78 123.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 120.747 0.308 . . . . 0.0 110.394 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 55.62 46.46 22.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.975 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.93 11.25 50.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.122 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.568 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.6 m -126.87 139.74 35.78 Favored Pre-proline 0 C--N 1.303 -1.417 0 CA-C-N 114.066 -1.067 . . . . 0.0 111.494 -168.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . 0.64 ' HA ' ' OE1' ' C' ' 20' ' ' GLU . 19.1 Cg_endo -56.98 126.43 22.19 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.958 2.438 . . . . 0.0 111.846 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.465 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 54.0 t -79.99 139.06 53.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -170.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.465 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 70.0 Cg_exo -30.79 -58.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.179 1 C-N-CA 125.996 4.464 . . . . 0.0 116.137 -179.443 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.6 -6.55 6.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.199 0.524 . . . . 0.0 111.696 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 31.2 p -128.99 85.54 2.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -74.1 54.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.091 0.472 . . . . 0.0 111.758 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 99.45 52.76 1.19 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.797 174.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 49' ' ' LYS . 29.7 mtmm -128.19 -41.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.286 0.543 . . . . 0.0 109.924 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.695 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.52 -38.83 3.08 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -176.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.5 m -114.91 167.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.034 0.445 . . . . 0.0 111.583 -175.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 pt -127.44 160.12 37.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.811 172.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.404 HD22 HD23 ' C' ' 44' ' ' LEU . 4.5 mp -86.73 165.13 16.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.301 0.572 . . . . 0.0 112.216 -172.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 70.6 p -105.2 175.67 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' B' ' 1' ' ' FME . . . -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.599 0.636 . . . . 0.0 111.793 -176.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -60.77 -43.51 97.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.628 0.252 . . . . 0.0 110.734 174.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.11 -30.23 72.02 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.906 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.585 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.7 m-85 -68.89 -34.92 76.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.501 0.191 . . . . 0.0 110.997 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 25.0 m -70.24 -31.54 68.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 0.0 110.248 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.588 ' O ' HG13 ' C' ' 47' ' ' ILE . 4.5 mp -87.17 -12.82 45.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.029 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.3 OUTLIER -91.18 -43.05 10.1 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.046 -177.055 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.56 -19.27 62.18 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 121.526 -0.734 . . . . 0.0 109.718 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -75.18 -43.77 50.28 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.324 173.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.758 HD13 HD21 ' A' ' 51' ' ' LEU . 1.5 pp -80.32 -22.44 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 C-N-CA 118.734 -1.186 . . . . 0.0 111.158 -178.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 75.2 mm-40 -57.5 -61.06 2.77 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 166.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.595 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 27.3 ttmt -77.47 -0.3 25.52 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.485 -166.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.409 ' NE2' ' OE2' ' B' ' 9' ' ' GLU . 73.0 m-70 -118.13 -1.75 11.33 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 118.658 -1.217 . . . . 0.0 113.82 166.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.746 HD21 HD13 ' B' ' 47' ' ' ILE . 2.6 mm? -125.49 -57.95 1.45 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.325 0.511 . . . . 0.0 110.817 174.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -108.1 -12.09 15.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -167.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.595 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 1.8 mtmm . . . . . 0 C--O 1.246 0.875 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -111.6 -24.85 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.47 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 tt -123.73 138.76 52.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.881 0.372 . . . . 0.0 111.087 -175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.15 160.49 23.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.504 173.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -66.47 -13.1 60.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.083 0.468 . . . . 0.0 110.763 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -83.67 -4.12 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.97 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -101.62 -7.36 22.78 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.803 0.335 . . . . 0.0 110.646 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 95.6 mt -114.71 -20.26 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 110.456 177.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -146.16 143.71 29.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.04 148.98 31.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.013 -174.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.65 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -63.54 131.07 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.153 0.502 . . . . 0.0 111.15 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.795 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 4.9 t -67.51 156.94 87.45 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -169.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.795 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 44.4 Cg_exo -36.65 -37.77 0.31 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 123.747 2.965 . . . . 0.0 115.101 178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -144.05 -30.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -167.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.97 44.22 2.24 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -165.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.65 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -91.06 24.77 2.69 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.333 -177.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.78 -7.56 0.49 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -173.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.26 -40.21 0.82 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.967 -172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.77 15.47 56.48 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.643 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -152.83 162.52 41.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.982 0.42 . . . . 0.0 110.399 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.571 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.8 mt -140.29 121.36 14.51 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 58.19 43.17 20.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.867 0.73 . . . . 0.0 111.027 -174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.2 11.58 9.66 Favored Glycine 0 CA--C 1.504 -0.601 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.809 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.571 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.2 m -118.72 144.93 36.5 Favored Pre-proline 0 C--N 1.305 -1.34 0 CA-C-N 114.978 -0.611 . . . . 0.0 111.199 -170.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.45 126.33 22.14 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.981 2.454 . . . . 0.0 111.122 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.569 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 35.1 t -82.03 140.44 46.36 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.093 -0.958 . . . . 0.0 112.711 -166.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 78.5 Cg_exo -30.31 -58.23 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.22 1 C-N-CA 125.997 4.464 . . . . 0.0 116.145 -177.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.74 -4.69 7.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.668 -168.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 13.8 p -132.35 95.25 3.6 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 t -77.51 53.37 1.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.029 0.442 . . . . 0.0 111.456 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.06 41.77 3.69 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.273 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -111.36 -43.12 3.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.38 0.61 . . . . 0.0 109.401 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 116.67 -38.71 2.92 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 -174.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.47 163.8 11.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 0.0 112.094 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.8 pt -123.51 161.1 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.062 174.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 44' ' ' LEU . 3.7 mp -88.02 158.2 18.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.523 0.677 . . . . 0.0 112.386 -173.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -106.6 175.67 5.42 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.499 -1.228 . . . . 0.0 107.889 170.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.55 -46.65 77.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -57.81 -43.55 85.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.12 0.486 . . . . 0.0 110.507 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.25 -29.33 73.19 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.934 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.597 ' HA ' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -70.01 -33.31 71.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.537 0.208 . . . . 0.0 111.188 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -70.63 -32.06 69.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.283 0.563 . . . . 0.0 110.692 175.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mp -86.08 -15.8 40.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.023 -177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 0.5 OUTLIER -83.39 -41.6 17.97 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.997 179.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.12 -25.33 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.524 . . . . 0.0 110.705 -177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 68.9 t80 -74.81 -40.66 60.96 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.953 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.647 HG21 HG22 ' B' ' 47' ' ' ILE . 19.2 pt -80.09 -27.38 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.773 -177.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 82.8 mm-40 -55.3 -60.24 3.67 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 166.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 11.2 ttpp -78.88 2.02 21.51 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.594 -166.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.472 ' CE1' HD21 ' C' ' 36' ' ' LEU . 70.8 m-70 -116.88 -2.13 11.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 117.842 -1.543 . . . . 0.0 114.569 164.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' C' ' 52' ' ' ASN . 3.4 mm? -122.19 -50.63 2.01 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 118.562 0.619 . . . . 0.0 111.11 174.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.417 ' HB2' HD12 ' B' ' 51' ' ' LEU . 0.2 OUTLIER -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.567 -168.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 11.7 mtmt . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.247 -0.882 . . . . 0.0 109.393 174.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -107.65 -24.84 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.006 0.431 . . . . 0.0 111.619 -175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.8 tt -123.7 139.18 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 -175.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 159.8 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 172.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m -64.0 -14.88 57.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.153 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -83.51 -4.15 58.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -101.88 -4.39 26.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.99 0.424 . . . . 0.0 110.587 176.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.457 HD21 HE21 ' B' ' 39' ' ' GLN . 94.4 mt -116.88 -20.6 9.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.147 0.499 . . . . 0.0 110.24 177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -145.88 145.74 30.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.52 149.53 29.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.067 -175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.667 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -63.05 130.53 45.08 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.248 0.547 . . . . 0.0 111.283 -176.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.833 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 38.8 t -65.84 157.04 81.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.084 0.954 . . . . 0.0 112.427 -169.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.833 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 43.1 Cg_exo -37.24 -39.41 0.57 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.586 2.857 . . . . 0.0 114.831 177.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -142.6 -29.92 0.55 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -166.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 17.3 p -116.97 46.08 1.74 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -168.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.667 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 24.84 2.47 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 120.903 0.383 . . . . 0.0 109.995 -177.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.59 -14.37 0.44 Allowed 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -171.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.01 -41.66 1.78 Allowed 'General case' 0 C--N 1.345 0.411 0 CA-C-N 115.302 -0.863 . . . . 0.0 113.205 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.0 15.15 55.01 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.671 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.3 pt-20 -153.57 164.83 37.56 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.053 0.454 . . . . 0.0 110.258 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.575 ' O ' ' HB ' ' B' ' 24' ' ' THR . 21.9 mt -143.41 121.17 6.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 57.45 43.7 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.935 0.772 . . . . 0.0 110.619 -171.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 12.84 8.93 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.692 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.575 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.3 m -120.98 143.1 36.05 Favored Pre-proline 0 C--N 1.303 -1.43 0 CA-C-N 114.677 -0.762 . . . . 0.0 110.803 -167.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -55.46 121.44 9.94 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.147 2.565 . . . . 0.0 111.598 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.8 t -76.58 139.38 67.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.19 -0.913 . . . . 0.0 113.191 -168.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 71.4 Cg_exo -28.62 -59.41 0.11 Allowed 'Trans proline' 0 C--N 1.357 0.989 1 C-N-CA 126.155 4.57 . . . . 0.0 116.266 -178.469 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.02 -9.37 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.363 0.602 . . . . 0.0 111.661 -167.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 28.7 p -131.02 96.08 3.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.3 t -79.65 53.85 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.056 0.455 . . . . 0.0 111.219 -174.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.68 3.05 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.843 175.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 34' ' ' VAL . 46.7 mtmt -113.68 -44.06 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 117.07 -39.03 2.79 Favored Glycine 0 N--CA 1.439 -1.157 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -173.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.425 ' O ' ' HE3' ' B' ' 32' ' ' LYS . 28.7 m -113.94 163.43 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 112.076 -177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 17.6 pt -123.75 160.42 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.809 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.553 HD22 HD23 ' B' ' 44' ' ' LEU . 3.7 mp -87.58 157.87 19.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.543 0.687 . . . . 0.0 112.527 -173.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -107.06 173.51 6.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.038 170.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.87 70.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.457 HE21 HD21 ' B' ' 8' ' ' LEU . 12.0 tt0 -58.84 -43.71 90.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.013 0.435 . . . . 0.0 110.667 177.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.06 -29.1 73.26 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.895 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.55 ' HA ' HD23 ' B' ' 44' ' ' LEU . 6.2 m-85 -70.37 -33.03 70.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.78 -0.247 . . . . 0.0 111.37 177.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -70.5 -31.64 68.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.245 0.545 . . . . 0.0 110.726 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.08 -17.87 33.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.484 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.639 ' O ' ' HG2' ' B' ' 48' ' ' GLN . 0.7 OUTLIER -82.07 -40.88 21.34 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.136 178.7 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.03 -25.59 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.311 0.576 . . . . 0.0 110.69 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 69.0 t80 -74.81 -41.11 60.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 176.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.647 HG22 HG21 ' A' ' 47' ' ' ILE . 18.9 pt -79.99 -27.3 12.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.747 -177.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.6 mm-40 -55.16 -60.43 3.39 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 166.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.605 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 11.9 ttpp -78.97 1.74 22.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.666 -166.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.459 ' CE1' HD21 ' A' ' 36' ' ' LEU . 71.6 m-70 -116.49 -1.65 12.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 118.011 -1.475 . . . . 0.0 114.421 164.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 52' ' ' ASN . 3.4 mm? -122.59 -52.91 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.625 0.648 . . . . 0.0 110.979 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' C' ' 51' ' ' LEU . 0.2 OUTLIER -110.42 -18.24 13.28 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.573 -168.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.605 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.6 mtmt . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.403 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 p -113.25 -22.29 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.369 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.39 138.92 53.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.35 160.63 23.61 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -65.57 -13.94 60.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.014 0.435 . . . . 0.0 111.063 -176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -83.34 -4.25 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.826 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -103.05 -3.29 26.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 0.0 110.756 176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 95.0 mt -117.06 -20.44 9.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.184 0.516 . . . . 0.0 110.259 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -145.71 145.83 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.425 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 p -134.27 148.79 29.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.201 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.657 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -63.42 130.71 45.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.035 0.445 . . . . 0.0 111.173 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.869 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 12.4 t -67.82 157.42 86.57 Favored Pre-proline 0 CA--C 1.54 0.571 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -168.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.869 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 42.5 Cg_exo -36.2 -39.92 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.824 3.016 . . . . 0.0 114.646 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -142.79 -28.74 0.57 Allowed 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -167.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 4.8 p -115.74 43.84 2.02 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.657 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.8 24.17 2.83 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.002 0.43 . . . . 0.0 110.374 -177.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 -11.98 0.45 Allowed 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -172.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.48 -40.26 1.43 Allowed 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.381 -0.827 . . . . 0.0 113.157 -172.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.95 57.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.203 -0.999 . . . . 0.0 112.422 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 3.7 pt-20 -152.27 165.58 34.45 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.11 -177.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.566 HD12 ' SG ' ' C' ' 26' ' ' CYS . 16.4 mt -143.77 122.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 173.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 58.13 42.95 21.42 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.889 0.743 . . . . 0.0 110.79 -173.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.55 15.81 9.41 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.632 -176.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.556 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 1.2 m -122.52 144.18 41.6 Favored Pre-proline 0 C--N 1.306 -1.31 0 CA-C-N 114.661 -0.769 . . . . 0.0 111.26 -169.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -55.26 122.04 11.0 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.23 2.62 . . . . 0.0 111.484 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' C' ' 21' ' ' ILE . 43.9 t -80.49 139.17 51.38 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.974 -167.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.555 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 84.3 Cg_exo -28.73 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.076 1 C-N-CA 126.157 4.572 . . . . 0.0 116.449 -176.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.75 -7.27 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.372 0.606 . . . . 0.0 111.671 -168.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 14.4 p -131.01 94.44 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 27.2 t -77.78 54.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.34 45.3 3.04 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.954 174.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.422 ' HE3' ' O ' ' C' ' 34' ' ' VAL . 49.1 mtmt -113.47 -44.87 3.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 117.54 -38.86 2.81 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -173.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.422 ' O ' ' HE3' ' C' ' 32' ' ' LYS . 27.7 m -114.14 163.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 0.0 112.069 -177.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 17.9 pt -123.6 160.8 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.912 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.571 HD22 HD23 ' C' ' 44' ' ' LEU . 3.7 mp -87.69 158.04 18.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.586 0.708 . . . . 0.0 112.493 -173.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.8 173.73 6.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.581 -1.19 . . . . 0.0 108.104 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.7 -46.66 70.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -173.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -57.14 -46.1 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.727 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.13 -28.44 73.75 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.224 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.549 ' HA ' HD23 ' C' ' 44' ' ' LEU . 6.0 m-85 -70.09 -33.47 71.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.752 -0.263 . . . . 0.0 111.092 177.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -70.22 -31.54 69.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.213 0.53 . . . . 0.0 110.853 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mp -86.03 -17.45 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 -177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' C' ' 48' ' ' GLN . 0.6 OUTLIER -82.29 -40.78 21.02 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.123 178.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.35 -25.48 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 0.0 110.799 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 69.3 t80 -74.76 -41.0 60.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.026 176.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.64 HG21 HG22 ' A' ' 47' ' ' ILE . 19.1 pt -79.86 -27.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.803 -177.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 80.9 mm-40 -55.1 -60.34 3.52 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 166.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.608 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 11.6 ttpp -79.18 1.89 22.93 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.629 -166.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.444 ' CE1' HD21 ' B' ' 36' ' ' LEU . 72.4 m-70 -116.62 -2.39 11.96 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.844 -1.542 . . . . 0.0 114.428 164.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.426 HD12 ' HB2' ' B' ' 52' ' ' ASN . 3.4 mm? -122.11 -51.5 2.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.479 0.657 . . . . 0.0 111.022 174.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -111.44 -18.83 12.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.67 -168.663 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.608 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 11.0 mtmt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.826 175.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p -106.55 -7.81 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.481 0.658 . . . . 0.0 110.538 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.8 tt -128.85 136.83 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.38 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.6 172.49 7.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.523 175.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 m -62.26 -24.95 67.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.265 0.555 . . . . 0.0 110.733 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -82.25 -3.67 55.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.444 -172.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -101.69 0.1 35.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 110.589 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 87.5 mt -125.2 -28.74 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.131 178.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -142.96 147.24 34.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.306 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 p -127.57 140.15 49.92 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.571 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.64 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -65.23 137.48 57.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.129 0.49 . . . . 0.0 111.164 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -59.46 169.72 1.25 Allowed Pre-proline 0 N--CA 1.452 -0.362 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -173.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 75.1 Cg_exo -48.34 -37.6 32.62 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.985 2.457 . . . . 0.0 113.75 173.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.41 -13.34 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -167.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 23.0 p -117.16 43.31 2.34 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 119.051 0.841 . . . . 0.0 112.965 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.649 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -92.3 29.23 1.72 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.158 -177.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' H ' ' H ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -148.46 -18.52 0.33 Allowed 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -174.465 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -132.73 -29.42 1.51 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.489 -175.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' HA3' ' HA2' ' A' ' 31' ' ' GLY . . . 80.86 26.43 53.52 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 120.599 -0.81 . . . . 0.0 114.273 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 5.7 pt-20 -138.54 159.89 40.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.564 0.697 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.554 ' O ' ' HB ' ' A' ' 24' ' ' THR . 47.9 mm -127.31 109.17 19.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.186 169.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 61.76 46.72 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.422 0.451 . . . . 0.0 111.372 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.58 -1.47 14.47 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.496 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 21' ' ' ILE . 1.9 m -118.62 147.47 42.14 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 115.267 -0.466 . . . . 0.0 111.738 -168.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 24' ' ' THR . 18.7 Cg_endo -55.15 125.43 19.15 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.295 2.664 . . . . 0.0 112.254 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 29' ' ' CYS . 52.0 t -74.15 137.98 75.59 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -171.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -29.95 -54.26 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 1 C-N-CA 126.327 4.685 . . . . 0.0 116.212 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.77 -9.64 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.748 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 26' ' ' CYS . 26.8 p -132.05 98.79 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.786 0.326 . . . . 0.0 110.149 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.9 m -77.76 58.57 1.87 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.152 -176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' HA2' ' HA3' ' A' ' 19' ' ' GLY . . . 90.94 45.58 4.15 Favored Glycine 0 CA--C 1.506 -0.527 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.412 173.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' CYS . 12.9 mtpp -123.5 -39.96 2.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -171.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.21 -40.01 2.69 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 178.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 11' ' ' ALA . 35.6 m -123.49 167.88 16.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 O-C-N 122.332 -0.511 . . . . 0.0 112.053 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.4 pt -130.61 163.95 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.357 174.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD22 HD23 ' A' ' 44' ' ' LEU . 3.6 mp -87.95 159.29 18.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -172.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -106.74 176.8 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.046 169.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.34 -46.53 69.55 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -57.73 -44.12 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.991 0.424 . . . . 0.0 110.534 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.56 -29.7 72.93 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.845 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.4 m-85 -68.87 -33.12 73.27 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.856 -0.202 . . . . 0.0 111.201 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 m -71.94 -33.5 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.398 0.618 . . . . 0.0 110.486 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mp -86.46 -17.3 34.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.792 -174.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.39 -45.44 16.1 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.262 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.98 -20.46 61.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 110.541 -175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.37 -44.03 53.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.186 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.606 ' O ' HD11 ' B' ' 51' ' ' LEU . 2.7 pp -78.24 -27.13 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 119.433 -0.907 . . . . 0.0 110.239 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HA ' HD21 ' B' ' 51' ' ' LEU . 39.3 mm-40 -52.28 -59.92 3.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 166.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.752 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 18.1 ttmm -79.36 1.96 23.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.375 -166.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.742 ' O ' HD23 ' A' ' 51' ' ' LEU . 78.6 m-70 -115.49 -3.77 12.35 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 116.131 -2.228 . . . . 0.0 114.917 169.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 50' ' ' HIS . 20.7 mt -126.69 -37.21 2.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.073 0.851 . . . . 0.0 111.77 169.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -105.89 -33.46 7.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.366 0.603 . . . . 0.0 111.208 -172.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.752 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 12.0 mtmt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.765 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.52 -2.03 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.421 0.629 . . . . 0.0 110.508 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 tt -134.92 137.22 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.273 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.18 171.43 9.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.7 m -60.67 -23.34 64.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.094 0.473 . . . . 0.0 111.107 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.91 -5.8 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -172.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.01 1.07 36.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.413 . . . . 0.0 110.842 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.403 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 88.2 mt -126.03 -27.76 3.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.125 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -142.79 148.86 37.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.167 -177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.31 140.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.511 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -65.56 137.22 57.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.252 0.548 . . . . 0.0 111.213 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -59.02 169.72 1.06 Allowed Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -173.702 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.667 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 70.4 Cg_exo -48.13 -36.87 29.69 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.228 2.619 . . . . 0.0 114.243 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.4 -13.79 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -167.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 18.2 p -117.19 44.06 2.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.831 1.196 . . . . 0.0 113.211 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.66 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -91.46 28.79 1.61 Allowed 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -177.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' B' ' 18' ' ' ALA . 0.0 OUTLIER -148.03 -18.45 0.35 Allowed 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -174.315 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' B' ' 17' ' ' ARG . . . -132.68 -27.51 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.064 -176.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.476 ' HA3' ' HA2' ' B' ' 31' ' ' GLY . . . 80.65 24.57 58.22 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 120.303 -0.951 . . . . 0.0 114.34 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 7.2 pt-20 -137.73 160.34 39.5 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.369 0.604 . . . . 0.0 110.49 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.515 ' O ' ' HB ' ' B' ' 24' ' ' THR . 46.5 mm -128.21 110.44 21.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 114.635 -1.166 . . . . 0.0 108.227 170.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 61.16 45.28 9.17 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 123.522 0.514 . . . . 0.0 111.197 176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.7 0.13 23.43 Favored Glycine 0 CA--C 1.511 -0.205 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.891 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.515 ' HB ' ' O ' ' B' ' 21' ' ' ILE . 1.7 m -120.51 146.21 42.57 Favored Pre-proline 0 C--N 1.304 -1.39 0 CA-C-N 114.913 -0.644 . . . . 0.0 110.752 -167.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' B' ' 24' ' ' THR . 17.9 Cg_endo -54.47 126.38 22.1 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.801 2.334 . . . . 0.0 112.599 -178.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' B' ' 29' ' ' CYS . 53.1 t -74.41 136.34 75.18 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.243 -0.889 . . . . 0.0 113.252 -172.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -29.74 -53.04 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.061 1 C-N-CA 126.593 4.862 . . . . 0.0 116.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.26 -8.59 7.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.75 -167.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.494 ' O ' ' HB3' ' B' ' 26' ' ' CYS . 30.4 p -133.39 98.35 4.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.163 0.506 . . . . 0.0 110.023 178.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -77.55 58.35 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.092 -176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.476 ' HA2' ' HA3' ' B' ' 19' ' ' GLY . . . 90.2 48.27 3.6 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.09 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 29' ' ' CYS . 13.4 mtpp -125.81 -39.98 2.08 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -172.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.655 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 111.1 -40.49 2.53 Favored Glycine 0 N--CA 1.431 -1.661 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' B' ' 11' ' ' ALA . 35.6 m -123.25 168.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.176 0.513 . . . . 0.0 112.109 -174.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 pt -131.46 163.56 36.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.273 174.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.541 HD22 HD23 ' B' ' 44' ' ' LEU . 3.6 mp -87.63 159.54 18.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.73 176.87 5.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.121 169.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.57 69.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.57 -44.85 85.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.568 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HZ ' ' C' ' 46' ' ' PHE . . . -68.16 -29.4 73.32 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.908 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.573 ' HA ' HD23 ' B' ' 44' ' ' LEU . 12.6 m-85 -68.85 -33.6 74.09 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 122.802 -0.234 . . . . 0.0 111.112 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -71.57 -33.38 69.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.452 0.644 . . . . 0.0 110.578 175.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.44 -16.87 35.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.803 -174.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.6 OUTLIER -81.74 -44.98 16.31 Favored 'General case' 0 C--O 1.225 -0.193 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.211 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.25 -22.0 61.3 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 110.502 -175.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.414 ' HZ ' ' O ' ' A' ' 40' ' ' GLY . 64.3 t80 -74.08 -43.59 57.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.128 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.592 ' O ' HD11 ' C' ' 51' ' ' LEU . 2.7 pp -78.45 -26.76 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 119.298 -0.961 . . . . 0.0 110.252 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.508 ' HA ' HD21 ' C' ' 51' ' ' LEU . 40.3 mm-40 -52.66 -59.85 3.97 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 166.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.773 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 17.1 ttmm -79.34 1.72 24.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.349 -166.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.748 ' O ' HD23 ' B' ' 51' ' ' LEU . 77.7 m-70 -115.52 -3.11 12.39 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 115.993 -2.283 . . . . 0.0 115.225 169.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.748 HD23 ' O ' ' B' ' 50' ' ' HIS . 21.6 mt -127.35 -36.57 2.1 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.054 0.843 . . . . 0.0 111.831 168.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -106.05 -33.51 7.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.164 0.507 . . . . 0.0 111.185 -172.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.773 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 11.3 mtmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.423 176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -105.88 -3.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.615 0.721 . . . . 0.0 110.412 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 18.6 tt -133.05 136.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.271 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.28 170.7 9.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.456 175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.8 m -59.06 -24.0 62.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.099 0.476 . . . . 0.0 111.091 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.65 -6.03 58.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 -172.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -101.29 -0.31 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.705 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.1 mt -125.28 -28.36 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.293 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -142.89 147.72 35.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.237 0.541 . . . . 0.0 110.384 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.91 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.473 -178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.622 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.18 137.77 57.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.076 -179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.88 168.54 1.42 Allowed Pre-proline 0 CA--C 1.538 0.512 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -47.37 -38.12 26.22 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.201 2.6 . . . . 0.0 113.723 173.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.89 -10.96 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 17.7 p -114.92 41.13 2.46 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 118.388 -1.325 . . . . 0.0 114.041 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.646 ' HA ' ' O ' ' C' ' 33' ' ' GLY . 0.0 OUTLIER -91.08 28.78 1.52 Allowed 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 -176.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.434 ' H ' ' H ' ' C' ' 18' ' ' ALA . 0.0 OUTLIER -147.7 -19.59 0.37 Allowed 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 -176.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.434 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -131.81 -27.22 1.91 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.309 -174.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.463 ' HA3' ' HA2' ' C' ' 31' ' ' GLY . . . 79.67 25.8 57.77 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 120.41 -0.9 . . . . 0.0 114.034 176.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 6.8 pt-20 -137.86 161.49 36.48 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 121.449 0.643 . . . . 0.0 110.645 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.568 ' O ' ' HB ' ' C' ' 24' ' ' THR . 47.9 mm -129.03 110.29 20.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.222 169.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 61.44 46.85 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.622 0.576 . . . . 0.0 111.411 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.26 1.26 26.71 Favored Glycine 0 CA--C 1.51 -0.241 0 C-N-CA 119.846 -1.169 . . . . 0.0 112.553 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.568 ' HB ' ' O ' ' C' ' 21' ' ' ILE . 2.0 m -121.86 146.82 46.98 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 114.596 -0.802 . . . . 0.0 111.158 -167.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' C' ' 24' ' ' THR . 19.3 Cg_endo -54.77 130.82 42.52 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.807 2.338 . . . . 0.0 111.77 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' C' ' 29' ' ' CYS . 43.6 t -79.86 138.47 53.79 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 114.733 -1.121 . . . . 0.0 113.373 -171.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 63.7 Cg_exo -29.74 -53.54 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.193 1 C-N-CA 125.748 4.299 . . . . 0.0 116.114 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.73 -8.08 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.684 -167.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.522 ' O ' ' HB3' ' C' ' 26' ' ' CYS . 19.9 p -132.14 94.77 3.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -178.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -77.42 57.77 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.939 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.463 ' HA2' ' HA3' ' C' ' 19' ' ' GLY . . . 90.21 51.44 2.77 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' C' ' 29' ' ' CYS . 14.8 mtpp -127.45 -41.17 1.74 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -173.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.646 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.49 -40.1 2.64 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' C' ' 11' ' ' ALA . 35.7 m -123.97 168.78 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.129 0.49 . . . . 0.0 112.253 -174.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.59 164.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.403 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.545 HD22 HD23 ' C' ' 44' ' ' LEU . 3.6 mp -88.0 160.05 18.04 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -172.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -106.93 176.43 5.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.115 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.61 -47.15 67.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -57.29 -44.28 83.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.8 -29.54 72.62 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.928 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' C' ' 44' ' ' LEU . 13.8 m-85 -68.96 -33.22 73.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.839 -0.212 . . . . 0.0 111.11 177.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 16.6 m -71.99 -33.35 68.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.445 0.64 . . . . 0.0 110.642 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.24 -17.02 35.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.774 -174.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.6 OUTLIER -81.67 -45.33 15.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.199 -179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -73.01 -20.58 60.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.265 0.555 . . . . 0.0 110.574 -175.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.417 ' HZ ' ' O ' ' B' ' 40' ' ' GLY . 64.4 t80 -74.37 -43.66 55.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.126 173.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.608 ' O ' HD11 ' A' ' 51' ' ' LEU . 2.7 pp -78.31 -26.86 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 119.357 -0.937 . . . . 0.0 110.321 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.513 ' HA ' HD21 ' A' ' 51' ' ' LEU . 40.7 mm-40 -52.71 -59.62 4.25 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 166.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.75 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 17.5 ttmm -79.4 1.63 24.68 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.835 -1.075 . . . . 0.0 112.492 -166.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.755 ' O ' HD23 ' C' ' 51' ' ' LEU . 79.1 m-70 -115.42 -3.06 12.45 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 115.995 -2.282 . . . . 0.0 114.911 169.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.755 HD23 ' O ' ' C' ' 50' ' ' HIS . 21.9 mt -127.37 -37.5 2.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.085 0.857 . . . . 0.0 111.814 168.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -106.17 -31.21 8.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.181 0.515 . . . . 0.0 111.462 -171.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.75 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 10.6 mtmt . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.998 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.515 ' SD ' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -106.55 9.37 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.684 0.754 . . . . 0.0 110.107 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -143.19 140.46 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.731 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.07 165.44 14.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -67.15 -13.53 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.0 110.502 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.58 -5.55 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.428 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -101.6 4.11 40.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.23 0.538 . . . . 0.0 109.999 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HB3' ' CE1' ' B' ' 46' ' ' PHE . 96.0 mt -125.98 -30.9 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.846 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -149.0 153.04 37.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.686 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.05 148.38 29.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.06 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -64.8 131.69 47.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -177.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.941 ' SG ' ' HD2' ' A' ' 13' ' ' PRO . 1.8 t -60.19 161.3 13.48 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.342 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.941 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 67.6 Cg_exo -44.03 -36.41 8.45 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.063 2.509 . . . . 0.0 114.271 172.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -147.19 -36.76 0.22 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -163.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.73 46.55 1.28 Allowed 'General case' 0 C--O 1.249 1.036 0 C-N-CA 117.828 -1.549 . . . . 0.0 114.209 -169.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -88.72 27.63 1.28 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -147.84 -28.64 0.34 Allowed 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -164.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.45 -37.17 3.55 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.476 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' O ' ' HA2' ' A' ' 31' ' ' GLY . . . 92.3 19.51 38.54 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.724 -1.227 . . . . 0.0 111.946 -177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -170.42 171.17 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.1 mt -140.03 124.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 49.75 47.88 22.36 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.122 0.889 . . . . 0.0 111.23 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.51 6.84 51.26 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.686 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 151.3 65.12 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -173.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.19 129.12 32.6 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 123.17 2.58 . . . . 0.0 111.599 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 39.2 t -86.21 141.49 35.03 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.509 -170.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 72.0 Cg_exo -26.39 -59.15 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.056 1 C-N-CA 126.47 4.78 . . . . 0.0 116.385 -177.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.71 -2.29 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.48 0.657 . . . . 0.0 111.615 -167.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.2 p -131.08 88.33 2.59 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.6 m -76.14 57.66 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.291 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 19' ' ' GLY . . . 93.43 41.14 4.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.504 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -117.58 -43.73 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.627 0.727 . . . . 0.0 109.431 -177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 111.36 -39.4 2.9 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -175.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 11' ' ' ALA . 27.1 m -113.13 164.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.118 0.485 . . . . 0.0 112.09 -177.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.6 pt -123.66 158.14 29.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.901 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' NE2' ' B' ' 50' ' ' HIS . 1.5 mt -86.57 150.6 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.7 t -106.95 172.73 6.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.469 -1.241 . . . . 0.0 108.196 168.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' C' ' 1' ' ' FME . . . -52.98 -43.65 66.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -174.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.98 -44.49 91.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.978 177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HZ ' ' B' ' 46' ' ' PHE . . . -68.28 -29.72 73.3 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 178.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.599 ' HA ' HD23 ' A' ' 44' ' ' LEU . 13.9 m-85 -68.85 -36.21 77.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.419 0.152 . . . . 0.0 111.129 176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.5 m -69.98 -34.03 72.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.274 0.559 . . . . 0.0 111.251 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.6 mp -86.02 -15.96 39.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.984 -175.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -83.91 -39.48 19.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.255 -179.48 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -70.33 -27.28 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.792 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' C' ' 8' ' ' LEU . 74.8 t80 -75.49 -37.58 60.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.672 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.66 HG22 HG21 ' C' ' 47' ' ' ILE . 25.7 pt -78.27 -35.34 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.563 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.524 ' HB3' ' HE2' ' A' ' 53' ' ' LYS . 18.7 mm-40 -50.72 -60.75 2.73 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-O 121.337 0.589 . . . . 0.0 109.567 171.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HA ' ' CB ' ' A' ' 53' ' ' LYS . 25.5 ttpt -77.14 1.34 18.55 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.048 -166.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.733 ' O ' HD23 ' A' ' 51' ' ' LEU . 72.1 m-70 -115.11 -9.0 12.38 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 117.372 -1.731 . . . . 0.0 114.803 166.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 50' ' ' HIS . 33.9 mt -132.95 -24.05 1.94 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.706 1.139 . . . . 0.0 113.096 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.7 -22.09 3.96 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.046 0.45 . . . . 0.0 111.923 -174.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' CB ' ' HA ' ' A' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.316 -0.868 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . 0.497 ' SD ' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -105.42 9.8 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.74 0.781 . . . . 0.0 110.18 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 tt -143.89 139.86 25.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.592 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.86 166.13 13.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 172.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -67.11 -12.88 61.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.116 0.484 . . . . 0.0 110.508 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.88 -6.46 59.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.28 3.56 40.89 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.088 0.47 . . . . 0.0 110.337 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.459 ' HB3' ' CE1' ' C' ' 46' ' ' PHE . 96.1 mt -125.13 -31.16 3.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.732 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -149.15 153.39 37.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.702 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 p -135.69 147.57 28.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.238 -177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.476 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.84 134.91 55.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.392 0.615 . . . . 0.0 111.075 -177.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.682 ' SG ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -64.06 163.06 25.87 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.74 -1.118 . . . . 0.0 113.621 -170.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.682 ' HD2' ' SG ' ' B' ' 12' ' ' CYS . 68.0 Cg_exo -47.09 -36.08 20.51 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.354 2.702 . . . . 0.0 114.268 174.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -149.52 -30.87 0.23 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -164.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.419 ' HB3' ' CG1' ' B' ' 21' ' ' ILE . 26.1 p -116.53 43.36 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -169.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.504 ' HA ' ' O ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -90.11 27.18 1.68 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -176.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -148.43 -28.07 0.31 Allowed 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 -162.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.23 -36.65 3.2 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.127 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.498 ' O ' ' HA2' ' B' ' 31' ' ' GLY . . . 91.34 21.47 34.92 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.695 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -170.48 172.25 6.1 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 123.06 0.544 . . . . 0.0 109.556 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . 0.419 ' CG1' ' HB3' ' B' ' 15' ' ' CYS . 14.7 mt -141.9 123.71 13.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 48.79 51.27 16.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.623 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.66 13.93 59.62 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.749 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.32 148.06 68.67 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.785 -172.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -56.84 129.11 32.83 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 123.303 2.669 . . . . 0.0 111.753 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.432 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 41.4 t -85.7 140.4 35.64 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.863 -169.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.432 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 88.8 Cg_exo -26.57 -58.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 1 C-N-CA 126.428 4.752 . . . . 0.0 116.91 -177.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.35 -2.32 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.388 0.613 . . . . 0.0 111.312 -167.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' B' ' 29' ' ' CYS . 28.4 p -130.76 89.74 2.8 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -78.59 57.98 2.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.092 0.472 . . . . 0.0 111.699 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' B' ' 19' ' ' GLY . . . 92.63 41.57 4.71 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.396 176.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -117.01 -43.84 2.84 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 -177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 110.86 -39.61 2.84 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -175.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' B' ' 11' ' ' ALA . 27.0 m -112.73 165.3 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 112.123 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.584 HG23 ' SG ' ' B' ' 12' ' ' CYS . 12.3 pt -123.66 158.07 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.459 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.509 HD21 ' NE2' ' C' ' 50' ' ' HIS . 1.6 mt -86.36 149.53 24.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.152 -171.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -107.22 171.76 7.2 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 114.563 -1.198 . . . . 0.0 108.421 169.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.515 ' HB1' ' SD ' ' A' ' 1' ' ' FME . . . -51.93 -43.44 63.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.28 -45.86 87.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 111.007 177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.02 -27.19 73.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.797 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.522 ' HA ' HD23 ' B' ' 44' ' ' LEU . 14.1 m-85 -68.64 -33.88 74.77 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.778 -0.248 . . . . 0.0 110.657 175.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.4 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.302 0.572 . . . . 0.0 110.689 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.52 ' O ' HG23 ' B' ' 47' ' ' ILE . 5.6 mp -85.67 -19.12 31.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.283 -175.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 41' ' ' TYR . 1.3 pp -81.62 -38.53 25.85 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.738 -0.601 . . . . 0.0 110.646 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.31 -28.25 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 8' ' ' LEU . 77.7 t80 -75.17 -37.0 61.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.723 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.66 HG21 HG22 ' C' ' 47' ' ' ILE . 25.1 pt -78.56 -36.26 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.674 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.536 ' HB3' ' HE2' ' B' ' 53' ' ' LYS . 21.1 mm-40 -49.7 -60.99 2.38 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 121.361 0.601 . . . . 0.0 109.714 171.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.625 ' HA ' ' CB ' ' B' ' 53' ' ' LYS . 24.7 ttpt -77.0 1.17 18.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.17 -166.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.762 ' O ' HD23 ' B' ' 51' ' ' LEU . 62.1 m-70 -115.57 -8.14 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 117.373 -1.731 . . . . 0.0 114.781 167.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.762 HD23 ' O ' ' B' ' 50' ' ' HIS . 34.3 mt -133.9 -21.95 1.87 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.719 1.145 . . . . 0.0 113.07 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.94 -24.61 3.45 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.071 0.462 . . . . 0.0 111.797 -175.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.625 ' CB ' ' HA ' ' B' ' 49' ' ' LYS . 3.3 mtmm . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . 0.445 ' SD ' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -105.89 7.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.743 0.782 . . . . 0.0 110.038 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -141.36 139.63 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.646 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.48 168.91 10.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 5.2 m -69.72 -13.18 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.183 0.516 . . . . 0.0 110.478 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.52 -5.77 58.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.303 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -101.66 5.1 41.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.151 0.5 . . . . 0.0 110.077 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 96.0 mt -127.16 -31.44 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.739 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -148.85 154.45 39.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.623 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.34 146.54 28.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.378 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -64.74 134.55 54.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.052 0.453 . . . . 0.0 110.948 -177.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.753 ' SG ' ' HD2' ' C' ' 13' ' ' PRO . 0.1 OUTLIER -65.28 163.89 28.28 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -169.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . 0.753 ' HD2' ' SG ' ' C' ' 12' ' ' CYS . 63.2 Cg_exo -45.15 -38.14 14.0 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.302 2.668 . . . . 0.0 114.313 173.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -146.66 -31.36 0.35 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -165.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.43 ' HB3' ' CG1' ' C' ' 21' ' ' ILE . 7.2 p -115.87 42.78 2.25 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -167.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.483 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 26.48 1.98 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.608 0.718 . . . . 0.0 109.184 -177.631 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' C' ' 18' ' ' ALA . 13.4 ptp180 -148.14 -23.71 0.35 Allowed 'General case' 0 N--CA 1.436 -1.15 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 -163.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' C' ' 17' ' ' ARG . . . -122.97 -37.93 2.67 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.978 -174.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . 0.543 ' O ' ' HA2' ' C' ' 31' ' ' GLY . . . 89.69 21.45 40.09 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.375 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -171.23 172.55 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . 0.43 ' CG1' ' HB3' ' C' ' 15' ' ' CYS . 14.5 mt -142.38 124.95 13.86 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -177.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 48.48 49.85 17.67 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 124.337 1.023 . . . . 0.0 111.028 -173.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.15 13.71 60.37 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.64 174.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.01 148.09 68.21 Favored Pre-proline 0 C--N 1.316 -0.86 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.73 129.06 32.61 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 123.199 2.599 . . . . 0.0 111.368 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' C' ' 27' ' ' PRO . 42.7 t -87.12 142.09 33.47 Favored Pre-proline 0 C--N 1.313 -1.005 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.701 -168.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . 0.65 ' HD2' ' SG ' ' C' ' 26' ' ' CYS . 79.0 Cg_exo -28.02 -59.02 0.1 Allowed 'Trans proline' 0 C--N 1.364 1.361 1 C-N-CA 126.573 4.849 . . . . 0.0 116.675 -176.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.53 -1.79 6.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.558 0.694 . . . . 0.0 111.365 -168.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' C' ' 29' ' ' CYS . 30.5 p -130.25 86.98 2.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.247 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -77.09 57.24 1.36 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.033 0.444 . . . . 0.0 111.867 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' C' ' 19' ' ' GLY . . . 93.88 43.12 3.94 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.907 -0.664 . . . . 0.0 111.679 176.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -119.08 -43.97 2.62 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.442 0.639 . . . . 0.0 109.62 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 111.84 -39.24 2.94 Favored Glycine 0 N--CA 1.435 -1.373 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -175.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . 0.438 HG12 ' HA ' ' C' ' 11' ' ' ALA . 27.3 m -113.39 165.12 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.08 0.467 . . . . 0.0 112.067 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.599 HG23 ' SG ' ' C' ' 12' ' ' CYS . 10.7 pt -123.82 158.83 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.42 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.508 HD21 ' NE2' ' A' ' 50' ' ' HIS . 1.6 mt -86.88 149.56 24.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.355 -0.839 . . . . 0.0 113.153 -171.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -106.89 171.68 7.23 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.45 -1.25 . . . . 0.0 108.25 169.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . 0.497 ' HB1' ' SD ' ' B' ' 1' ' ' FME . . . -51.78 -43.95 63.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -173.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.62 -47.23 82.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.693 0.283 . . . . 0.0 110.983 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.94 -27.8 73.58 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.85 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.506 ' HA ' HD23 ' C' ' 44' ' ' LEU . 12.9 m-85 -68.91 -34.39 75.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.494 0.188 . . . . 0.0 110.755 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -72.96 -33.13 65.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.401 0.619 . . . . 0.0 110.728 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 47' ' ' ILE . 5.8 mp -85.5 -19.79 30.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.295 -175.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' C' ' 41' ' ' TYR . 1.2 pp -80.37 -38.63 30.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.449 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.6 -28.0 64.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 111.012 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' B' ' 8' ' ' LEU . 74.1 t80 -75.22 -37.85 60.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.703 177.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.66 HG22 HG21 ' B' ' 47' ' ' ILE . 25.9 pt -78.22 -34.53 18.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.79 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.535 ' HB3' ' HE2' ' C' ' 53' ' ' LYS . 19.8 mm-40 -51.49 -60.51 3.06 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.51 171.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.62 ' HA ' ' CB ' ' C' ' 53' ' ' LYS . 24.7 ttpt -77.45 0.89 20.95 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.705 -1.134 . . . . 0.0 112.249 -165.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.718 ' O ' HD23 ' C' ' 51' ' ' LEU . 67.9 m-70 -115.04 -8.54 12.45 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 117.38 -1.728 . . . . 0.0 114.634 167.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.718 HD23 ' O ' ' C' ' 50' ' ' HIS . 33.2 mt -132.05 -27.68 1.81 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.597 1.09 . . . . 0.0 112.921 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.67 -22.87 5.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.184 0.516 . . . . 0.0 111.849 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.62 ' CB ' ' HA ' ' C' ' 49' ' ' LYS . 3.4 mtmm . . . . . 0 C--N 1.315 -0.915 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 175.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.522 ' HB3' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 11.9 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.739 0.781 . . . . 0.0 109.797 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.6 tt -152.56 134.31 5.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.559 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -120.87 162.46 19.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.1 m -58.03 -28.72 64.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.439 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.64 -1.96 48.58 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -168.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.06 -21.5 14.44 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.194 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.84 -18.67 11.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.3 . . . . 0.0 111.395 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' B' ' 49' ' ' LYS . 52.2 mt-10 -130.18 133.44 46.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.284 0.564 . . . . 0.0 109.608 176.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.09 139.93 50.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.639 ' HB1' ' HG2' ' A' ' 16' ' ' GLU . . . -65.32 138.24 58.05 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 35' ' ' ILE . 7.6 m -56.69 167.44 1.02 Allowed Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -50.87 -36.89 54.26 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.024 2.483 . . . . 0.0 112.7 171.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -146.99 -30.77 0.34 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -166.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.42 42.21 2.3 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.639 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -90.5 31.29 1.04 Allowed 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 18' ' ' ALA . 15.9 ptm180 -146.93 -27.66 0.39 Allowed 'General case' 0 N--CA 1.438 -1.075 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -165.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' A' ' 17' ' ' ARG . . . -134.94 -28.96 1.16 Allowed 'General case' 0 C--N 1.339 0.135 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.277 -172.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.03 24.03 53.6 Favored Glycine 0 CA--C 1.52 0.405 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.236 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -146.67 159.8 43.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.786 -176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mm -124.05 101.86 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 107.383 -1.339 . . . . 0.0 107.383 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 62.74 51.27 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.614 0.571 . . . . 0.0 111.621 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.65 9.06 11.25 Favored Glycine 0 CA--C 1.507 -0.423 0 C-N-CA 120.17 -1.014 . . . . 0.0 112.622 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.9 145.86 38.83 Favored Pre-proline 0 N--CA 1.437 -1.089 0 CA-C-N 115.633 -0.283 . . . . 0.0 110.583 -174.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.93 128.62 31.0 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.265 2.643 . . . . 0.0 112.065 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HD2' ' A' ' 27' ' ' PRO . 52.1 t -84.68 136.12 39.72 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.841 -170.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' SG ' ' A' ' 26' ' ' CYS . 65.1 Cg_exo -28.43 -58.29 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.086 1 C-N-CA 126.456 4.771 . . . . 0.0 116.83 -176.406 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.93 0.49 5.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -163.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 26.1 p -123.8 -13.97 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.09 -1.044 . . . . 0.0 112.172 -178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m 40.57 38.89 0.65 Allowed 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 171.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.14 43.5 4.06 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 119.933 -1.127 . . . . 0.0 113.406 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HD2' ' HG2' ' B' ' 49' ' ' LYS . 48.6 mtmt -126.13 -36.64 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.897 0.379 . . . . 0.0 110.163 178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 16' ' ' GLU . . . 113.95 -38.81 3.03 Favored Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.459 -0.657 . . . . 0.0 111.459 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 11' ' ' ALA . 34.2 m -119.26 167.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.187 0.518 . . . . 0.0 112.013 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.446 HG23 ' SG ' ' A' ' 12' ' ' CYS . 21.8 pt -130.48 167.75 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.733 175.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 1.7 mp -87.51 163.95 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.416 ' O ' ' HD2' ' A' ' 41' ' ' TYR . 63.2 p -105.92 177.08 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.111 170.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' C' ' 1' ' ' FME . . . -57.02 -44.68 83.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 118.595 0.634 . . . . 0.0 111.844 -177.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -58.95 -43.3 91.26 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.765 174.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.52 76.56 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.893 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.649 ' HA ' HD23 ' A' ' 44' ' ' LEU . 10.1 m-85 -70.72 -33.22 70.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.903 -0.175 . . . . 0.0 111.455 177.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.3 m -69.24 -33.4 73.23 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.494 0.664 . . . . 0.0 110.225 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -85.78 -16.15 39.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.439 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -81.77 -41.69 20.82 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.183 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.91 -23.13 62.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 110.584 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.536 ' CZ ' HD23 ' C' ' 36' ' ' LEU . 60.5 t80 -75.38 -40.92 57.46 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.241 174.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.632 HG22 HG21 ' C' ' 47' ' ' ILE . 19.0 pt -80.01 -25.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.562 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 44' ' ' LEU . 85.8 mm-40 -58.41 -59.43 5.37 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 165.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HG2' ' HD2' ' C' ' 32' ' ' LYS . 28.0 ttmt -78.57 -4.37 48.45 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.883 -1.053 . . . . 0.0 112.311 -164.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -117.67 -1.05 11.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 117.741 -1.584 . . . . 0.0 114.09 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD21 HG13 ' C' ' 47' ' ' ILE . 3.6 mm? -118.84 -51.23 2.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.414 0.626 . . . . 0.0 111.03 170.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.96 -28.52 9.54 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.51 -166.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 49' ' ' LYS . 19.9 mtmt . . . . . 0 C--N 1.317 -0.825 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.075 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' FME . . . . . 0.483 ' HB3' ' HB1' ' C' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m -106.48 12.15 8.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.665 0.745 . . . . 0.0 109.644 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 tt -152.92 134.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.693 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.01 163.3 18.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.773 0.32 . . . . 0.0 111.198 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 m -58.53 -29.54 66.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.48 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -82.31 0.17 42.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -168.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.75 -22.81 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.148 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.17 -18.42 12.13 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.468 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' C' ' 49' ' ' LYS . 54.0 mt-10 -130.15 133.23 46.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.408 0.623 . . . . 0.0 109.68 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.55 139.35 51.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.851 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.619 ' HB1' ' HG2' ' B' ' 16' ' ' GLU . . . -64.61 137.64 57.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.481 -178.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' B' ' 35' ' ' ILE . 15.0 m -55.6 167.85 0.71 Allowed Pre-proline 0 N--CA 1.464 0.233 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 -172.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -52.78 -32.45 55.89 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.312 2.675 . . . . 0.0 113.037 171.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -150.82 -30.18 0.19 Allowed 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.478 ' HB3' ' O ' ' B' ' 20' ' ' GLU . 24.1 p -114.86 41.97 2.27 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -167.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.619 ' HG2' ' HB1' ' B' ' 11' ' ' ALA . 0.0 OUTLIER -90.18 31.57 0.99 Allowed 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -148.17 -28.98 0.32 Allowed 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -165.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.06 -29.98 1.24 Allowed 'General case' 0 C--N 1.341 0.232 0 CA-C-N 114.76 -1.109 . . . . 0.0 112.73 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.41 21.56 53.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.063 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' B' ' 15' ' ' CYS . 4.8 pt-20 -145.81 161.12 40.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.023 0.439 . . . . 0.0 110.916 -174.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mm -124.98 101.04 7.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 63.63 51.14 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.697 0.623 . . . . 0.0 111.668 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 8.9 10.77 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.729 -176.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.81 146.08 39.24 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.746 -0.227 . . . . 0.0 110.408 -174.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.81 128.35 29.93 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.223 2.615 . . . . 0.0 112.14 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' B' ' 27' ' ' PRO . 49.1 t -84.1 134.49 43.48 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.548 -170.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' B' ' 26' ' ' CYS . 58.2 Cg_exo -27.66 -57.27 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.838 1 C-N-CA 126.383 4.722 . . . . 0.0 117.009 -175.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.04 0.14 5.88 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 -163.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.423 ' O ' ' HE2' ' B' ' 32' ' ' LYS . 25.6 p -124.07 -12.96 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.138 -1.025 . . . . 0.0 112.414 -178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m 40.36 39.06 0.63 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.93 45.55 3.58 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.427 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.535 ' HD2' ' HG2' ' C' ' 49' ' ' LYS . 45.6 mtmt -128.16 -36.32 1.95 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.819 0.342 . . . . 0.0 110.271 179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' B' ' 16' ' ' GLU . . . 113.63 -38.71 3.09 Favored Glycine 0 N--CA 1.436 -1.356 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' B' ' 11' ' ' ALA . 33.9 m -119.75 166.33 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.473 . . . . 0.0 112.131 -175.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.461 HG23 ' SG ' ' B' ' 12' ' ' CYS . 25.7 pt -129.71 168.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.728 175.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' C' ' 46' ' ' PHE . 1.9 mp -87.25 165.04 15.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.604 0.716 . . . . 0.0 112.869 -174.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.413 ' O ' ' HD2' ' B' ' 41' ' ' TYR . 71.4 p -106.22 177.15 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.07 170.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 1' ' ' FME . . . -57.18 -44.78 83.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.485 0.584 . . . . 0.0 111.675 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -58.8 -42.83 90.03 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.658 174.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.14 -30.65 75.99 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.844 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . 0.635 ' HA ' HD23 ' B' ' 44' ' ' LEU . 9.4 m-85 -70.76 -33.09 70.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.877 -0.19 . . . . 0.0 111.426 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 31.7 m -69.12 -33.38 73.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.673 . . . . 0.0 110.262 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.84 -16.2 39.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.635 HD23 ' HA ' ' B' ' 41' ' ' TYR . 0.5 OUTLIER -81.85 -41.79 20.52 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.298 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -71.11 -22.55 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.62 -177.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 61.3 t80 -75.44 -41.61 55.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.314 174.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.615 HG22 HG21 ' A' ' 47' ' ' ILE . 18.5 pt -79.97 -26.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.489 -177.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' B' ' 44' ' ' LEU . 80.4 mm-40 -58.04 -59.4 5.33 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-O 121.297 0.57 . . . . 0.0 109.482 165.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' HG2' ' HD2' ' A' ' 32' ' ' LYS . 27.4 ttmt -78.08 -4.53 47.8 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.235 -164.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -117.45 -1.04 11.79 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 117.855 -1.538 . . . . 0.0 114.476 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.444 HD21 HG13 ' A' ' 47' ' ' ILE . 3.6 mm? -120.07 -47.4 2.38 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.36 0.6 . . . . 0.0 111.41 170.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.01 -30.11 7.63 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.305 -167.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' B' ' 49' ' ' LYS . 18.2 mtmt . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.722 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' FME . . . . . 0.493 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -106.38 12.45 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.812 0.815 . . . . 0.0 109.815 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -153.05 134.46 5.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.57 161.93 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.805 0.336 . . . . 0.0 111.182 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 59.4 m -57.22 -29.25 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.637 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -81.99 -0.78 45.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -169.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -101.71 -22.58 14.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.02 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.03 -18.85 12.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.665 0.269 . . . . 0.0 111.529 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.493 ' OE2' ' HD2' ' A' ' 49' ' ' LYS . 52.9 mt-10 -130.55 132.42 45.56 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.381 0.61 . . . . 0.0 109.784 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.68 140.38 49.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.661 ' HB1' ' HG2' ' C' ' 16' ' ' GLU . . . -65.24 137.5 57.62 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.599 -178.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' C' ' 35' ' ' ILE . 1.5 m -55.36 167.58 0.7 Allowed Pre-proline 0 C--N 1.332 -0.169 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.71 -32.87 57.09 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.938 2.425 . . . . 0.0 112.925 171.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -150.49 -30.22 0.2 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -167.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' C' ' 20' ' ' GLU . 29.1 p -116.07 44.03 2.02 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -168.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.661 ' HG2' ' HB1' ' C' ' 11' ' ' ALA . 0.0 OUTLIER -90.52 31.46 1.03 Allowed 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -147.72 -28.59 0.34 Allowed 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -164.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.04 -28.9 1.32 Allowed 'General case' 0 C--N 1.342 0.248 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.519 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.22 22.95 53.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.399 -0.905 . . . . 0.0 113.128 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' C' ' 15' ' ' CYS . 5.4 pt-20 -146.75 160.2 42.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.064 0.459 . . . . 0.0 110.839 -175.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 45.0 mm -124.36 101.91 9.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 63.21 50.98 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.632 0.582 . . . . 0.0 111.439 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.37 9.17 10.96 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 119.951 -1.119 . . . . 0.0 112.877 -176.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.87 147.31 42.1 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-O 120.562 0.22 . . . . 0.0 110.822 -174.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -55.83 128.09 28.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.149 2.566 . . . . 0.0 111.927 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -83.27 136.12 43.62 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -171.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -28.63 -58.56 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.96 1 C-N-CA 126.238 4.626 . . . . 0.0 116.628 -177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -128.37 1.05 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -164.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' CYS . . . . . . . . . . . . . 31.4 p -123.65 -12.65 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.201 -1.0 . . . . 0.0 112.425 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m 38.47 38.82 0.26 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.73 42.69 4.39 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 119.967 -1.111 . . . . 0.0 113.383 174.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.506 ' HD2' ' HG2' ' A' ' 49' ' ' LYS . 48.1 mtmt -125.52 -35.36 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.908 0.385 . . . . 0.0 110.302 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' C' ' 16' ' ' GLU . . . 112.97 -39.23 2.92 Favored Glycine 0 N--CA 1.435 -1.406 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -118.64 166.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.971 -175.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.4 HG23 ' SG ' ' C' ' 12' ' ' CYS . 24.9 pt -129.8 168.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.61 175.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.536 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 1.8 mp -87.26 164.79 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.784 0.802 . . . . 0.0 112.818 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.5 p -106.22 175.94 5.33 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.105 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' B' ' 1' ' ' FME . . . -55.71 -45.15 77.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.437 0.562 . . . . 0.0 111.941 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -58.93 -42.54 90.0 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.739 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.77 -31.09 77.34 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.807 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . 0.657 ' HA ' HD23 ' C' ' 44' ' ' LEU . 9.7 m-85 -70.39 -32.61 70.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 122.959 -0.142 . . . . 0.0 111.276 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' THR . . . . . . . . . . . . . 45.0 m -69.85 -33.76 72.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.421 0.629 . . . . 0.0 110.349 174.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mp -85.46 -17.4 36.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.217 -175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' C' ' 41' ' ' TYR . 0.5 OUTLIER -80.27 -42.3 23.39 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.799 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.08 -23.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.0 110.739 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' PHE . . . . . 0.515 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 62.5 t80 -75.39 -41.6 55.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.226 174.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 47' ' ' ILE . 19.6 pt -79.9 -25.71 12.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.433 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' C' ' 44' ' ' LEU . 82.2 mm-40 -58.66 -58.81 6.94 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 165.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.535 ' HG2' ' HD2' ' B' ' 32' ' ' LYS . 28.9 ttmt -78.42 -4.57 48.95 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.193 -164.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' HIS . . . . . 0.409 ' NE2' ' OE2' ' B' ' 9' ' ' GLU . 95.2 m-70 -117.58 -0.78 11.79 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 118.05 -1.46 . . . . 0.0 114.297 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.436 HD21 HG13 ' B' ' 47' ' ' ILE . 3.6 mm? -120.21 -47.21 2.38 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.453 0.644 . . . . 0.0 111.467 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.7 -29.26 7.77 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.405 -166.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' C' ' 49' ' ' LYS . 17.9 mtmt . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.623 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_