data_1sco_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 1sco _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 . . . . . . . . . . . . . 77.5 t . . . . . 0 CA--C 1.514 -0.427 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mm -93.68 149.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 pt -135.83 140.04 44.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -101.26 73.02 1.47 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -170.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.47 141.72 39.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.473 -1.251 . . . . 0.0 109.737 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -65.11 96.24 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -83.93 165.05 19.0 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -124.91 -47.75 1.79 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.403 1.064 . . . . 0.0 110.415 167.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt -118.24 134.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 CA-C-O 123.351 1.548 . . . . 0.0 112.33 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -58.63 -29.35 66.45 Favored 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 120.664 -1.273 . . . . 0.0 108.797 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -36.24 82.25 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.7 1.591 . . . . 0.0 111.849 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -72.21 -25.19 61.56 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 115.895 -2.003 . . . . 0.0 111.749 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.3 m -84.18 -17.81 38.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 121.252 1.842 . . . . 0.0 113.085 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -42.14 86.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 116.884 -1.531 . . . . 0.0 107.571 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -61.15 6.82 Favored Pre-proline 0 C--N 1.355 0.819 0 CA-C-N 121.747 2.067 . . . . 0.0 112.903 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.92 -28.89 58.18 Favored 'Trans proline' 0 C--N 1.357 1.005 0 CA-C-N 124.971 2.811 . . . . 0.0 111.505 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.15 -34.44 76.4 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.185 1.357 . . . . 0.0 109.922 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -69.56 -47.85 62.26 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.699 1.591 . . . . 0.0 108.111 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.74 -48.81 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.433 0.56 . . . . 0.0 110.221 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.65 83.41 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.16 62.03 0.25 Allowed Glycine 0 C--N 1.354 1.541 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.5 mmt -108.6 143.22 37.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 117.802 -1.094 . . . . 0.0 108.572 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.34 -40.22 62.31 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.383 -1.77 . . . . 0.0 107.048 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -115.54 152.27 33.32 Favored 'General case' 0 C--N 1.365 1.245 0 CA-C-N 120.205 1.366 . . . . 0.0 111.821 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.18 0.28 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 107.753 -2.139 . . . . 0.0 107.753 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.99 136.42 50.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 114.947 -2.454 . . . . 0.0 108.434 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 16.4 t -113.38 140.93 47.64 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-N 121.906 2.139 . . . . 0.0 107.088 171.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLY . 31.8 mmt -108.48 130.61 55.26 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 103.171 -2.899 . . . . 0.0 103.171 171.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -41.12 91.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.633 1.208 . . . . 0.0 111.574 -168.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 149.73 -68.92 0.33 Allowed Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.119 -1.378 . . . . 0.0 109.783 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -125.84 157.22 38.13 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.518 -1.706 . . . . 0.0 110.17 -172.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.2 m -101.74 139.06 37.9 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 119.616 1.098 . . . . 0.0 110.743 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.6 105.5 8.52 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.8 m -114.27 156.62 24.02 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.068 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.2 p -121.84 135.15 25.01 Favored Pre-proline 0 C--N 1.36 1.059 0 CA-C-O 115.432 -2.223 . . . . 0.0 109.303 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.2 153.44 62.16 Favored 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 121.509 1.575 . . . . 0.0 110.579 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.356 0.861 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.048 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 CA--C 1.513 -0.465 0 CA-C-O 117.538 -1.22 . . . . 0.0 107.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -116.15 148.33 18.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -128.55 137.32 57.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -98.14 71.22 2.11 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.824 1.193 . . . . 0.0 108.429 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -113.7 138.87 41.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.508 -1.234 . . . . 0.0 108.555 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.86 103.34 0.7 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -88.17 168.83 12.42 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 120.161 1.346 . . . . 0.0 107.946 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HZ1' ' HB2' ' A' ' 9' ' ' LYS . 4.6 ttmp? -120.47 -51.44 2.18 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.302 1.001 . . . . 0.0 109.186 165.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.26 143.97 31.84 Favored 'Isoleucine or valine' 0 C--N 1.368 1.406 0 CA-C-O 124.032 1.872 . . . . 0.0 113.892 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -61.31 -33.8 74.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.468 -1.253 . . . . 0.0 108.563 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -37.91 89.18 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.516 1.507 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.01 -26.46 62.23 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 115.574 -2.155 . . . . 0.0 111.998 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.39 -21.58 33.0 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 121.538 1.972 . . . . 0.0 113.275 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.3 -34.94 79.29 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.026 -1.464 . . . . 0.0 107.506 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -57.58 -63.45 3.77 Favored Pre-proline 0 C--N 1.354 0.773 0 CA-C-N 121.785 2.084 . . . . 0.0 112.852 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.6 -30.51 51.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 124.966 2.809 . . . . 0.0 111.931 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.6 m -59.49 -39.36 83.52 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.812 1.642 . . . . 0.0 110.058 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.73 89.83 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.705 -1.247 . . . . 0.0 109.549 177.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.78 -48.59 81.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 118.927 0.785 . . . . 0.0 109.497 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.23 81.56 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.408 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.24 59.82 0.28 Allowed Glycine 0 C--N 1.354 1.547 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.9 mmt -105.17 144.12 32.4 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.729 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.43 -26.83 41.76 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.545 -1.693 . . . . 0.0 108.442 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.35 158.24 44.87 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 120.41 1.459 . . . . 0.0 112.781 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.92 101.7 0.23 Allowed Glycine 0 C--N 1.363 2.064 0 CA-C-O 116.715 -2.158 . . . . 0.0 111.572 -173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 162.7 30.21 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.399 2.099 . . . . 0.0 110.437 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.3 t -120.9 143.99 48.66 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-O 117.542 -1.218 . . . . 0.0 108.795 165.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 30.9 mmt -109.24 125.45 52.27 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 168.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -39.08 93.72 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.068 1.304 . . . . 0.0 111.243 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -73.94 0.29 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -175.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -125.86 162.05 26.04 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.012 -1.47 . . . . 0.0 110.372 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 56.2 m -103.52 145.99 29.19 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.035 0.834 . . . . 0.0 112.329 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -130.3 102.81 6.36 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.9 m -115.83 162.65 17.0 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.181 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -132.77 138.96 33.14 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.542 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.85 166.08 30.98 Favored 'Trans proline' 0 C--N 1.364 1.343 0 CA-C-N 121.777 1.67 . . . . 0.0 112.522 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.606 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 5.7 ttpm? . . . . . 0 C--N 1.357 0.902 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.52 150.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.15 133.64 47.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -99.45 75.5 1.97 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.82 141.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.645 -1.169 . . . . 0.0 108.436 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.79 94.66 0.47 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 p -82.09 164.4 21.38 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 5.5 ttpm? -121.74 -39.79 2.6 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.278 164.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.87 137.85 56.15 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-O 123.729 1.728 . . . . 0.0 113.937 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.0 p -58.22 -34.98 71.01 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.489 -1.382 . . . . 0.0 108.745 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -62.96 -38.61 91.78 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.478 1.49 . . . . 0.0 111.495 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.79 -25.76 63.03 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.067 -1.92 . . . . 0.0 111.478 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.6 m -84.5 -17.52 38.77 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.947 1.703 . . . . 0.0 113.714 168.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.31 -42.0 80.06 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.432 -1.271 . . . . 0.0 107.987 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.63 -62.04 4.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 116.256 -1.83 . . . . 0.0 111.959 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.37 -29.94 53.85 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.803 2.751 . . . . 0.0 111.547 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.18 -48.78 78.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.163 1.347 . . . . 0.0 109.983 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -59.78 -46.98 87.51 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.75 2.068 . . . . 0.0 109.227 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -49.19 -46.47 45.6 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.105 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -60.91 2.12 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.08 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.49 53.92 0.01 OUTLIER Glycine 0 C--N 1.353 1.516 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.349 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.4 mmt -110.3 144.08 39.55 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.947 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -85.98 -31.59 21.99 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 115.633 -2.127 . . . . 0.0 109.581 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -114.93 149.37 37.38 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 121.533 1.969 . . . . 0.0 110.193 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.5 98.45 0.22 Allowed Glycine 0 C--N 1.359 1.812 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 147.51 50.22 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 115.63 -2.129 . . . . 0.0 108.084 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -115.88 143.91 44.77 Favored 'General case' 0 C--N 1.362 1.142 0 CA-C-N 121.104 1.774 . . . . 0.0 107.418 166.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 29.5 mmt -109.63 135.27 50.87 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 103.145 -2.909 . . . . 0.0 103.145 168.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -45.13 94.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.643 1.111 . . . . 0.0 110.36 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -69.47 0.35 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -176.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -131.71 159.86 37.15 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.735 -1.602 . . . . 0.0 110.383 -172.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 34.0 m -102.09 140.65 36.09 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.241 0.928 . . . . 0.0 111.347 -176.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -128.03 107.63 9.99 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -174.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.69 162.15 17.67 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.932 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -130.7 139.29 35.16 Favored Pre-proline 0 C--N 1.362 1.121 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.238 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.08 157.77 60.4 Favored 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 121.601 1.607 . . . . 0.0 111.278 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--N 1.355 0.805 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.012 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -87.27 152.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 140.86 45.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -102.46 66.16 0.96 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -172.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.34 143.8 21.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.219 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -76.14 92.67 3.25 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.0 167.54 19.69 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 119.715 1.143 . . . . 0.0 109.108 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -122.03 -46.45 2.2 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.879 1.362 . . . . 0.0 110.219 163.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 pt -123.16 144.78 31.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 CA-C-O 123.986 1.851 . . . . 0.0 113.928 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.8 t -60.96 -37.89 84.01 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 120.744 -1.223 . . . . 0.0 108.431 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -61.86 -35.88 79.61 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.823 1.192 . . . . 0.0 112.114 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.1 -25.31 59.72 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.883 -2.008 . . . . 0.0 111.622 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.8 m -82.94 -19.91 36.3 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.3 1.863 . . . . 0.0 113.503 167.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.58 -44.62 81.74 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.725 -1.607 . . . . 0.0 107.662 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -61.37 5.46 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 122.431 2.378 . . . . 0.0 113.632 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.06 -30.07 65.91 Favored 'Trans proline' 0 C--N 1.357 1.014 0 CA-C-N 124.958 2.807 . . . . 0.0 111.123 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.3 m -62.0 -37.18 83.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.306 1.412 . . . . 0.0 109.932 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.18 -45.8 83.41 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.843 -1.785 . . . . 0.0 108.557 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -52.73 -49.2 65.89 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.479 0.582 . . . . 0.0 110.301 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.52 95.16 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.121 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.07 60.9 0.23 Allowed Glycine 0 C--N 1.354 1.569 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mmt -109.6 143.97 38.56 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.037 -0.982 . . . . 0.0 108.767 -173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -79.86 -24.41 41.28 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 116.567 -1.682 . . . . 0.0 108.043 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.22 159.47 42.13 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.252 1.387 . . . . 0.0 112.894 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.11 103.27 0.29 Allowed Glycine 0 C--N 1.361 1.94 0 CA-C-O 116.938 -2.035 . . . . 0.0 109.913 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -129.26 150.47 50.62 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 115.282 -2.294 . . . . 0.0 108.295 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.257 36.7 t -108.98 127.5 54.13 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.604 2.002 . . . . 0.0 107.285 171.167 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 95.3 mmm -124.12 124.97 43.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.15 -156.18 0.31 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.4 -4.05 63.6 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 115.385 -2.897 . . . . 0.0 113.896 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -106.4 161.82 14.24 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 122.571 3.186 . . . . 0.0 109.564 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.8 m -110.44 144.95 38.46 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.386 0.994 . . . . 0.0 109.87 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.85 110.2 12.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 117.159 -1.401 . . . . 0.0 107.265 -171.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -116.96 156.99 26.49 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.575 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.7 p -123.56 136.8 27.64 Favored Pre-proline 0 C--N 1.36 1.061 0 CA-C-O 115.055 -2.402 . . . . 0.0 108.025 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.23 161.06 41.34 Favored 'Trans proline' 0 C--N 1.363 1.33 0 CA-C-N 122.118 1.792 . . . . 0.0 113.297 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.358 0.945 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 171.553 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.8 mt -87.05 141.87 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -136.54 129.66 45.92 Favored 'Isoleucine or valine' 0 C--N 1.36 1.029 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.521 ' HB3' ' HZ1' ' A' ' 32' ' ' LYS . 3.2 m-20 -98.61 78.07 2.34 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -171.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.28 143.0 37.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.552 -1.214 . . . . 0.0 109.397 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -60.36 86.67 0.01 OUTLIER 'General case' 0 C--N 1.358 0.971 0 CA-C-N 119.497 1.044 . . . . 0.0 108.937 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -81.42 157.13 25.06 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 120.645 1.566 . . . . 0.0 108.18 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -123.6 -47.86 1.95 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.433 1.083 . . . . 0.0 110.527 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -117.3 128.19 74.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 CA-C-O 123.39 1.567 . . . . 0.0 111.27 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -55.41 -31.84 62.18 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 117.215 -1.374 . . . . 0.0 108.469 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -61.67 -40.83 96.32 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.685 1.584 . . . . 0.0 111.429 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.46 -22.39 62.69 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.163 -176.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -84.61 -19.87 32.3 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.995 1.725 . . . . 0.0 113.38 166.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.19 -39.24 78.8 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 116.551 -1.69 . . . . 0.0 107.748 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.29 -60.45 6.86 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 123.053 2.661 . . . . 0.0 112.45 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.6 -29.13 52.46 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 125.106 2.859 . . . . 0.0 111.799 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.2 m -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.803 1.638 . . . . 0.0 111.034 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -35.86 81.53 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 118.93 -2.356 . . . . 0.0 108.436 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.87 -48.15 80.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.16 69.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.63 57.21 0.07 OUTLIER Glycine 0 C--N 1.354 1.537 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mmm -111.13 148.87 31.76 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.223 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -83.91 -31.7 25.52 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.571 -1.681 . . . . 0.0 109.403 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -127.55 153.81 45.93 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.286 1.403 . . . . 0.0 111.969 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 94.09 0.18 Allowed Glycine 0 C--N 1.363 2.051 0 CA-C-O 117.472 -1.738 . . . . 0.0 109.598 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 151.48 51.83 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 115.944 -1.979 . . . . 0.0 109.979 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 t -120.23 156.29 31.46 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 121.045 1.748 . . . . 0.0 110.264 173.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLY . 10.3 mmt -113.78 136.68 52.59 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 104.251 -2.499 . . . . 0.0 104.251 161.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -43.89 92.12 0.0 OUTLIER 'General case' 0 C--N 1.358 0.948 0 O-C-N 124.441 1.088 . . . . 0.0 110.553 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.74 -71.58 0.29 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -175.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HZ1' ' HB3' ' A' ' 5' ' ' ASN . 67.9 mttm -131.58 150.32 52.19 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.074 -1.441 . . . . 0.0 111.233 -171.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.3 m -95.62 146.85 24.16 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 119.08 0.855 . . . . 0.0 111.69 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -132.47 106.99 8.19 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -114.03 155.23 26.3 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.579 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.9 p -126.87 137.7 31.09 Favored Pre-proline 0 C--N 1.361 1.107 0 CA-C-O 115.794 -2.051 . . . . 0.0 108.789 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.24 161.82 39.82 Favored 'Trans proline' 0 C--N 1.364 1.382 0 CA-C-N 121.787 1.674 . . . . 0.0 114.329 -166.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 tttp . . . . . 0 C--N 1.359 0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 173.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 CA--C 1.514 -0.414 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.76 140.76 16.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 104.921 -2.251 . . . . 0.0 104.921 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -126.34 122.44 61.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 167.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -94.11 87.36 5.27 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.425 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.44 142.25 29.27 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 CA-C-N 119.657 1.117 . . . . 0.0 113.63 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 88.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.902 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 p -84.07 166.04 18.03 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 119.605 1.093 . . . . 0.0 109.671 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.611 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 5.7 ttpm? -125.83 -48.44 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.6 -1.19 . . . . 0.0 111.0 168.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -118.9 133.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-O 123.476 1.608 . . . . 0.0 112.833 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.5 p -57.22 -35.18 69.34 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 120.622 -1.298 . . . . 0.0 108.17 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -61.3 -41.04 96.31 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.274 1.397 . . . . 0.0 111.473 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.86 -24.94 63.51 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.07 -1.919 . . . . 0.0 111.961 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -84.64 -20.15 31.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.922 1.692 . . . . 0.0 113.474 168.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -67.11 -40.27 86.83 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.837 -1.554 . . . . 0.0 107.799 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.58 -62.76 3.21 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-N 122.487 2.403 . . . . 0.0 112.632 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.69 -31.23 49.78 Favored 'Trans proline' 0 C--N 1.358 1.075 0 CA-C-N 124.909 2.789 . . . . 0.0 112.101 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.94 -37.25 76.3 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.021 1.282 . . . . 0.0 109.273 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -69.08 -48.55 62.4 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.45 1.477 . . . . 0.0 108.514 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -44.22 -51.55 8.14 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 118.461 0.573 . . . . 0.0 110.4 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -51.53 62.01 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.727 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.85 60.74 0.07 OUTLIER Glycine 0 C--N 1.355 1.626 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -103.04 153.8 19.9 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -85.47 -34.92 21.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-O 116.025 -1.94 . . . . 0.0 107.558 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.406 ' CD2' ' OG1' ' A' ' 36' ' ' THR . 7.9 m-85 -127.31 155.87 42.86 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 120.259 1.391 . . . . 0.0 110.742 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.01 97.22 0.19 Allowed Glycine 0 C--N 1.36 1.907 0 CA-C-O 116.711 -2.161 . . . . 0.0 111.421 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -132.79 160.23 37.46 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 120.417 2.108 . . . . 0.0 111.135 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 8.6 t -118.48 152.58 35.67 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 169.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.2 mmt -113.03 139.13 48.93 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 165.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -45.26 93.25 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.79 1.177 . . . . 0.0 110.541 -170.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.15 -67.64 0.39 Allowed Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.091 -1.394 . . . . 0.0 110.222 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -133.83 153.06 52.0 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.787 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -99.46 139.18 35.49 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.699 1.136 . . . . 0.0 110.489 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -133.33 114.2 13.46 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.952 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -117.88 162.41 18.16 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.003 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.406 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 68.7 p -122.94 136.51 26.93 Favored Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.522 -2.18 . . . . 0.0 108.036 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.77 162.47 41.09 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.098 1.785 . . . . 0.0 111.623 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.809 ' HD3' ' OXT' ' A' ' 38' ' ' LYS . 8.9 tmtm? . . . . . 0 C--N 1.355 0.844 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 171.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--O 1.222 -0.353 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.02 143.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.1 pt -139.85 138.78 38.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 119.737 1.153 . . . . 0.0 109.204 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -102.15 74.05 1.41 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -126.57 141.05 47.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.527 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -62.68 98.85 0.13 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.5 p -85.03 163.73 18.67 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 120.701 1.591 . . . . 0.0 107.885 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HZ1' ' CA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -122.64 -50.27 1.98 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.322 1.013 . . . . 0.0 109.345 168.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.61 138.05 53.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.26 0 CA-C-O 123.691 1.71 . . . . 0.0 112.795 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -36.11 72.53 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.6 -1.313 . . . . 0.0 108.125 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.69 -40.44 92.2 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.922 1.237 . . . . 0.0 111.328 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.82 -23.51 62.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.116 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.51 -21.49 32.75 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.094 1.77 . . . . 0.0 112.968 167.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 tp -66.74 -36.52 82.66 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.457 -1.735 . . . . 0.0 107.842 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.23 -62.04 5.5 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-N 123.348 2.794 . . . . 0.0 112.99 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.75 -29.47 68.68 Favored 'Trans proline' 0 C--N 1.354 0.856 0 CA-C-N 125.361 2.95 . . . . 0.0 111.127 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.0 m -64.67 -43.03 94.9 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.158 1.345 . . . . 0.0 111.472 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.9 2.136 . . . . 0.0 109.647 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.37 -49.05 78.5 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.106 0.866 . . . . 0.0 109.072 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.93 79.29 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.116 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 55.24 0.09 OUTLIER Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.0 mmt -109.9 140.2 44.13 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.19 -40.78 51.48 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 177.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -113.81 153.45 29.1 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 120.672 1.578 . . . . 0.0 112.486 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.71 95.41 0.17 Allowed Glycine 0 C--N 1.361 1.957 0 CA-C-O 117.103 -1.943 . . . . 0.0 110.032 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -131.28 154.85 48.07 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.747 1.774 . . . . 0.0 110.501 -176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.68 149.33 39.98 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.37 130.56 56.84 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 167.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -35.86 93.44 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.546 1.153 . . . . 0.0 112.245 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.03 -69.24 0.4 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 118.349 -1.251 . . . . 0.0 110.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -123.45 155.04 38.21 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 116.489 -1.719 . . . . 0.0 109.352 -170.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -103.07 143.18 32.92 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.989 1.268 . . . . 0.0 111.427 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -134.7 112.97 11.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.824 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -118.03 162.19 18.58 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.722 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.9 p -129.66 134.12 25.84 Favored Pre-proline 0 C--N 1.361 1.106 0 CA-C-O 115.721 -2.085 . . . . 0.0 109.662 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.07 154.6 52.53 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.341 1.361 . . . . 0.0 111.524 -170.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 C--N 1.356 0.849 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 172.5 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 CA--C 1.511 -0.534 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -94.08 146.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.6 pt -135.14 140.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -99.48 76.47 2.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.74 142.47 40.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.74 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -60.28 91.42 0.02 OUTLIER 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.552 1.069 . . . . 0.0 109.201 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -80.87 160.08 24.85 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 120.96 1.709 . . . . 0.0 108.316 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.56 -53.7 1.78 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 pt -116.17 131.66 68.02 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.54 1.638 . . . . 0.0 112.03 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 t -56.87 -30.4 63.83 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 120.356 -1.465 . . . . 0.0 109.191 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -65.81 -40.44 91.87 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 120.196 1.362 . . . . 0.0 109.174 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.98 -22.38 64.11 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 121.875 2.125 . . . . 0.0 112.739 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.1 m -84.25 -18.17 37.37 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.54 1.973 . . . . 0.0 112.835 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.67 -40.72 92.71 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.315 -1.802 . . . . 0.0 107.437 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -52.65 -65.49 1.05 Allowed Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 122.895 2.589 . . . . 0.0 112.905 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.95 -30.29 83.29 Favored 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 125.161 2.879 . . . . 0.0 111.634 -174.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.8 m -63.38 -37.72 88.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.845 1.202 . . . . 0.0 110.608 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -39.94 56.79 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.657 2.026 . . . . 0.0 109.376 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.623 ' HZ1' ' HB2' ' A' ' 20' ' ' LYS . 10.4 mtmp? -57.54 -46.4 83.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.237 0.926 . . . . 0.0 108.888 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.55 67.79 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.684 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.54 62.02 0.08 OUTLIER Glycine 0 C--N 1.356 1.678 0 CA-C-N 118.777 0.717 . . . . 0.0 111.575 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.75 150.26 28.58 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.822 -176.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -85.75 -26.91 25.56 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.547 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -128.25 152.0 48.61 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.138 1.79 . . . . 0.0 111.599 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.24 96.12 0.19 Allowed Glycine 0 C--N 1.359 1.83 0 CA-C-O 116.573 -2.237 . . . . 0.0 109.363 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -129.39 152.47 48.9 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 120.239 2.019 . . . . 0.0 109.596 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.0 t -115.61 149.08 38.85 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.044 1.747 . . . . 0.0 108.387 168.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 92.4 mmm -111.59 127.63 55.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 168.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -41.61 94.92 0.01 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.959 1.254 . . . . 0.0 111.083 -169.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 148.81 -69.84 0.33 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 159.81 35.53 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.216 -1.849 . . . . 0.0 109.708 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 33.2 m -99.26 142.66 30.46 Favored 'General case' 0 C--N 1.361 1.101 0 CA-C-N 119.9 1.227 . . . . 0.0 111.908 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -130.15 103.21 6.6 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -115.61 160.37 20.09 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.979 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -127.53 135.82 28.01 Favored Pre-proline 0 C--N 1.361 1.069 0 CA-C-O 116.122 -1.894 . . . . 0.0 108.667 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.53 167.92 25.03 Favored 'Trans proline' 0 C--N 1.365 1.4 0 CA-C-N 121.273 1.49 . . . . 0.0 112.09 -168.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.87 ' HD3' ' OXT' ' A' ' 38' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.6 mm -100.25 134.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 116.19 -1.862 . . . . 0.0 106.078 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.8 pt -136.76 140.94 42.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 120.943 1.701 . . . . 0.0 108.28 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -100.79 70.12 1.39 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -172.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -114.75 139.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.565 -1.207 . . . . 0.0 109.658 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.94 90.57 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.7 p -82.55 161.46 22.3 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.53 -40.03 2.5 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 124.896 1.372 . . . . 0.0 109.78 169.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -124.66 140.34 48.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 CA-C-O 124.213 1.958 . . . . 0.0 113.917 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -61.52 -31.87 71.88 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.4 -1.437 . . . . 0.0 108.557 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -65.03 -37.44 87.61 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 120.421 1.464 . . . . 0.0 111.082 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -71.88 -25.94 62.14 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 115.694 -2.098 . . . . 0.0 111.962 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.2 m -84.25 -17.92 38.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 121.52 1.964 . . . . 0.0 113.191 167.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.12 -40.95 86.93 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.035 -1.459 . . . . 0.0 108.053 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -62.4 4.3 Favored Pre-proline 0 C--N 1.356 0.85 0 CA-C-N 121.816 2.098 . . . . 0.0 112.59 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.36 -29.16 63.15 Favored 'Trans proline' 0 C--N 1.357 1.022 0 CA-C-N 124.712 2.719 . . . . 0.0 111.222 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.82 -37.25 83.74 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.174 1.352 . . . . 0.0 109.835 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -66.17 -45.09 82.11 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.479 1.945 . . . . 0.0 109.621 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -53.6 -45.2 69.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.167 0.894 . . . . 0.0 109.592 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.91 61.78 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.162 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.71 58.47 0.09 OUTLIER Glycine 0 C--N 1.355 1.634 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mmt -110.34 142.75 41.56 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.354 -173.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -75.61 -39.45 57.89 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.618 -1.658 . . . . 0.0 107.55 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -116.16 151.22 36.1 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 119.702 1.137 . . . . 0.0 111.61 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 97.33 0.24 Allowed Glycine 0 C--N 1.359 1.823 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -125.47 132.91 52.59 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 115.36 -2.257 . . . . 0.0 106.485 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 20.1 t -110.76 144.28 39.99 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 98.4 mmm -113.93 135.5 53.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -42.75 92.16 0.0 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.439 1.087 . . . . 0.0 111.656 -167.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.83 -67.23 0.41 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.992 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -125.13 156.66 37.99 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 116.471 -1.728 . . . . 0.0 110.215 -171.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 m -103.17 141.63 35.53 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.882 1.219 . . . . 0.0 111.441 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.45 102.94 5.5 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -172.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.9 m -111.02 168.83 9.19 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.219 -1.372 . . . . 0.0 108.908 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.7 p -138.15 141.05 30.72 Favored Pre-proline 0 C--N 1.36 1.025 0 CA-C-O 115.496 -2.193 . . . . 0.0 110.169 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.42 153.68 55.59 Favored 'Trans proline' 0 C--N 1.365 1.416 0 CA-C-N 121.815 1.684 . . . . 0.0 112.044 -170.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.892 ' HD2' ' OXT' ' A' ' 38' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 170.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mm -93.41 147.14 5.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -126.22 139.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -99.2 70.38 1.76 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.51 140.24 46.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.179 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -62.18 106.06 0.68 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.985 1.266 . . . . 0.0 108.443 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p -91.67 161.39 14.93 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 121.547 1.976 . . . . 0.0 108.166 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -121.97 -40.76 2.49 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.406 1.066 . . . . 0.0 111.182 163.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.21 133.38 69.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 124.499 2.095 . . . . 0.0 112.224 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.4 p -58.25 -34.68 70.74 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.453 -1.404 . . . . 0.0 107.613 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.58 HH21 ' CD ' ' A' ' 16' ' ' GLU . 1.8 ttp-105 -64.9 -35.55 81.5 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.839 1.2 . . . . 0.0 110.981 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.14 -25.7 61.82 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.564 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.3 m -85.22 -20.8 29.59 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.524 1.966 . . . . 0.0 112.86 168.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.02 -38.69 92.21 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.463 -1.256 . . . . 0.0 107.68 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.58 ' CD ' HH21 ' A' ' 12' ' ' ARG . 99.0 mt-10 -58.88 -61.48 7.69 Favored Pre-proline 0 C--N 1.354 0.763 0 CA-C-N 121.109 1.777 . . . . 0.0 113.192 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.13 -28.86 80.22 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 125.633 3.047 . . . . 0.0 111.146 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.24 -38.56 90.72 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.14 1.336 . . . . 0.0 110.925 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.63 76.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 122.617 2.462 . . . . 0.0 109.08 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.45 -47.87 83.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.8 95.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.527 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.68 56.82 0.19 Allowed Glycine 0 C--N 1.354 1.578 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.9 mmm -111.99 147.02 36.81 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.333 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -81.85 -33.45 30.64 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.611 -1.662 . . . . 0.0 110.122 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -122.16 153.04 39.29 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.268 1.395 . . . . 0.0 110.635 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.35 89.72 0.16 Allowed Glycine 0 C--N 1.359 1.818 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -127.63 152.6 47.47 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 116.11 -1.9 . . . . 0.0 108.361 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.5 t -113.5 147.77 37.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 120.497 1.499 . . . . 0.0 109.019 170.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.46 129.61 55.54 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 167.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.17 95.84 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 O-C-N 124.559 1.162 . . . . 0.0 111.11 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.3 -71.06 0.4 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -127.21 161.8 27.67 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.45 -1.738 . . . . 0.0 109.961 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.3 m -101.85 144.8 30.06 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 119.584 1.084 . . . . 0.0 112.169 -175.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -127.93 106.0 8.8 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.66 157.14 23.51 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.929 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -128.56 136.61 29.38 Favored Pre-proline 0 C--N 1.361 1.08 0 CA-C-O 115.518 -2.182 . . . . 0.0 109.054 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.44 156.66 50.01 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 121.979 1.743 . . . . 0.0 112.961 -169.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 C--N 1.357 0.933 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 171.841 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.3 t . . . . . 0 C--O 1.221 -0.442 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.1 mt -75.77 145.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.409 -1.281 . . . . 0.0 107.669 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 pt -138.1 127.06 32.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 CA-C-N 119.198 0.908 . . . . 0.0 108.868 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -96.56 81.23 3.19 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.0 t -126.34 141.2 46.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.471 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 104.2 0.56 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.69 167.31 12.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 122.289 2.313 . . . . 0.0 105.421 174.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -121.8 -42.74 2.39 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.866 1.979 . . . . 0.0 110.286 154.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 pt -123.81 147.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 CA-C-O 123.981 1.848 . . . . 0.0 114.201 -173.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -64.17 -32.94 74.71 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 116.861 -1.542 . . . . 0.0 109.257 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.6 -39.79 94.36 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 121.482 1.946 . . . . 0.0 110.871 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.4 -28.74 66.42 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.405 -1.76 . . . . 0.0 111.769 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.36 -20.93 33.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.503 1.501 . . . . 0.0 113.478 170.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.97 -38.83 86.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 116.779 -1.582 . . . . 0.0 108.328 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.96 -62.78 3.32 Favored Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 122.429 2.377 . . . . 0.0 111.899 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.77 -27.87 51.86 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 124.989 2.818 . . . . 0.0 112.879 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.12 -44.24 95.04 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.51 1.505 . . . . 0.0 108.456 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -67.89 -44.06 77.87 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.8 -1.187 . . . . 0.0 108.979 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -45.8 -52.96 10.37 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.213 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.13 16.94 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.28 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.58 50.67 0.01 OUTLIER Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.361 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -106.0 141.01 38.11 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.543 -174.056 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.05 -23.49 26.72 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 115.409 -2.234 . . . . 0.0 107.234 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -137.69 165.9 25.27 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-N 121.512 1.96 . . . . 0.0 111.593 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.7 129.6 2.96 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-O 117.247 -1.863 . . . . 0.0 109.716 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 115.771 -2.061 . . . . 0.0 107.539 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.268 46.6 t -109.31 141.06 42.17 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 167.395 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -112.91 127.46 56.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.351 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.3 94.08 0.01 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 124.658 1.224 . . . . 0.0 110.998 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.63 -72.4 0.32 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.23 166.34 16.67 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.325 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.9 m -115.39 156.26 25.88 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.975 0.797 . . . . 0.0 111.114 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -129.93 123.49 30.85 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.9 m -101.97 132.7 47.64 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 m -113.97 106.01 53.82 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 116.8 -1.571 . . . . 0.0 108.694 -170.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 158.49 56.7 Favored 'Trans proline' 0 C--N 1.365 1.409 0 CA-C-N 120.789 1.318 . . . . 0.0 110.336 -167.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? . . . . . 0 C--N 1.356 0.85 0 C-N-CA 117.894 -1.522 . . . . 0.0 107.028 176.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.1 t . . . . . 0 CA--C 1.514 -0.412 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.6 mm -114.27 146.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.0 pt -133.71 133.48 56.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 169.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -97.18 71.95 2.43 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.055 1.298 . . . . 0.0 108.301 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.1 141.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.497 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.615 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 3.3 mmmp? -67.19 92.86 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.9 p -83.35 166.2 18.65 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 120.637 1.562 . . . . 0.0 109.099 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -125.22 -54.55 1.59 Allowed 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.296 0.997 . . . . 0.0 108.795 167.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 pt -114.31 135.64 53.43 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 CA-C-O 123.614 1.673 . . . . 0.0 112.615 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 p -56.91 -35.9 69.56 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -61.46 -40.88 96.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.201 1.364 . . . . 0.0 111.486 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -70.61 -23.12 62.49 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.003 -1.951 . . . . 0.0 112.413 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.6 m -84.41 -21.71 30.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.101 1.773 . . . . 0.0 112.704 167.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.47 -35.95 80.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.305 -1.807 . . . . 0.0 107.497 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.02 -63.8 2.37 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-N 123.325 2.784 . . . . 0.0 112.881 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.19 -31.37 54.03 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.793 2.748 . . . . 0.0 112.117 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.55 -39.87 95.0 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.644 1.565 . . . . 0.0 110.885 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -51.35 68.43 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 120.905 -1.122 . . . . 0.0 108.34 177.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -55.34 -47.06 76.25 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.898 -0.572 . . . . 0.0 110.709 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.48 82.95 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.291 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.74 57.4 0.22 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.5 mmt -104.73 143.76 32.66 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.321 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -72.27 -36.34 68.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.33 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.63 157.41 45.83 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.995 1.27 . . . . 0.0 113.056 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.65 105.21 0.37 Allowed Glycine 0 C--N 1.362 2.0 0 CA-C-O 117.406 -1.774 . . . . 0.0 109.921 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -137.68 158.1 45.08 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 116.282 -1.818 . . . . 0.0 109.52 -175.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -116.13 148.08 40.68 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 120.654 1.57 . . . . 0.0 108.232 172.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -110.97 125.16 53.41 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 167.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.95 96.45 0.01 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.167 1.348 . . . . 0.0 111.461 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.35 -70.25 0.42 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 159.08 26.99 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 116.714 -1.612 . . . . 0.0 110.147 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.8 m -102.08 148.8 24.95 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.433 1.015 . . . . 0.0 111.625 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -131.68 115.3 15.85 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.138 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.3 m -119.79 163.18 17.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.52 1.509 . . . . 0.0 109.725 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -131.72 136.56 28.63 Favored Pre-proline 0 C--N 1.36 1.026 0 CA-C-O 115.629 -2.129 . . . . 0.0 109.139 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.94 157.24 43.13 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.579 1.6 . . . . 0.0 112.474 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.356 0.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 169.66 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.0 140.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 pt -124.78 106.64 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -91.31 77.5 5.86 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -169.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.57 149.7 25.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 CA-C-O 118.74 -0.648 . . . . 0.0 112.468 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.577 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 3.7 mmmp? -61.68 108.27 0.96 Allowed 'General case' 0 C--N 1.358 0.941 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.233 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -88.72 174.66 7.88 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.333 0.97 . . . . 0.0 109.625 173.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -121.68 -53.38 1.99 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 162.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -122.49 146.27 27.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.32 0 CA-C-O 124.575 2.131 . . . . 0.0 115.255 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -59.13 -41.23 87.76 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.675 -1.266 . . . . 0.0 108.768 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -60.47 -35.51 76.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.529 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -75.73 -19.87 58.74 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.758 -2.068 . . . . 0.0 111.794 -176.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.4 m -85.69 -19.19 31.25 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 121.457 1.935 . . . . 0.0 112.749 165.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.24 -37.71 84.0 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.357 -1.782 . . . . 0.0 107.736 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -61.24 8.06 Favored Pre-proline 0 C--N 1.355 0.844 0 CA-C-N 123.034 2.652 . . . . 0.0 112.359 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.6 -32.83 57.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 CA-C-N 125.769 3.096 . . . . 0.0 111.732 -175.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -62.61 -37.43 86.24 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.527 1.512 . . . . 0.0 109.972 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.29 -47.99 83.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 121.069 1.759 . . . . 0.0 108.711 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -58.61 -46.06 87.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.107 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.59 87.04 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.894 0.77 . . . . 0.0 110.138 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.21 53.9 0.16 Allowed Glycine 0 C--N 1.354 1.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.8 mmt -113.11 140.48 47.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -73.92 -39.79 63.57 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.865 -1.54 . . . . 0.0 107.088 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -114.88 153.45 30.46 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.718 1.144 . . . . 0.0 112.629 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.94 87.6 0.13 Allowed Glycine 0 C--N 1.366 2.199 0 CA-C-O 115.446 -2.863 . . . . 0.0 113.339 -175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.49 164.91 23.78 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 121.619 2.709 . . . . 0.0 111.256 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.358 170.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.9 mmt -125.19 162.93 23.56 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 171.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t30 48.88 -108.18 0.26 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.619 -1.658 . . . . 0.0 107.726 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.43 24.17 2.94 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.116 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 153.94 43.84 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.369 2.085 . . . . 0.0 107.745 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -103.41 140.24 37.73 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.44 1.018 . . . . 0.0 111.832 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -127.62 115.07 18.21 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.69 158.29 24.04 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 117.527 -1.225 . . . . 0.0 110.974 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 p -134.09 137.45 28.27 Favored Pre-proline 0 C--N 1.363 1.174 0 CA-C-O 115.71 -2.091 . . . . 0.0 110.415 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.65 155.0 63.86 Favored 'Trans proline' 0 C--N 1.369 1.647 0 CA-C-N 121.286 1.495 . . . . 0.0 113.093 -167.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.357 0.916 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.808 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 C--O 1.221 -0.423 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 86.8 mt -78.95 144.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.6 pt -138.35 136.5 44.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -99.86 64.49 1.25 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.3 145.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.185 -0.912 . . . . 0.0 108.977 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -81.08 85.78 6.25 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.07 165.11 19.85 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 119.988 1.267 . . . . 0.0 108.879 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -121.24 -31.38 4.12 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.114 1.509 . . . . 0.0 112.304 157.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.22 140.45 49.05 Favored 'Isoleucine or valine' 0 C--N 1.371 1.521 0 CA-C-O 123.97 1.843 . . . . 0.0 113.726 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -34.42 76.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.53 -1.356 . . . . 0.0 108.278 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.3 -39.0 93.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.687 1.585 . . . . 0.0 111.516 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.74 -28.01 65.43 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.093 -1.908 . . . . 0.0 111.463 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.5 m -83.7 -18.62 37.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.783 1.629 . . . . 0.0 113.506 169.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 tp -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.088 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.53 -63.27 2.64 Favored Pre-proline 0 C--N 1.355 0.835 0 CA-C-N 122.055 2.207 . . . . 0.0 111.963 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.51 -30.3 52.32 Favored 'Trans proline' 0 C--N 1.359 1.093 0 CA-C-N 124.655 2.698 . . . . 0.0 112.262 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.59 -49.28 78.18 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.216 1.371 . . . . 0.0 108.828 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -63.39 -46.95 84.06 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 119.977 -1.702 . . . . 0.0 108.654 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -49.43 -46.0 47.11 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.118 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.42 -62.19 1.5 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.413 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.22 50.13 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.669 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 118.541 -0.743 . . . . 0.0 111.019 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -88.46 -27.15 21.69 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.957 -1.973 . . . . 0.0 108.591 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.75 163.16 32.04 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.311 1.869 . . . . 0.0 112.458 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 122.01 1.78 Allowed Glycine 0 C--N 1.357 1.713 0 CA-C-O 117.268 -1.851 . . . . 0.0 108.892 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -130.42 138.06 50.15 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 116.06 -1.924 . . . . 0.0 107.126 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.6 t -110.17 143.17 40.67 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 2.9 mmt -113.08 133.42 55.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 170.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -40.49 94.25 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.541 1.15 . . . . 0.0 111.276 -168.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 143.74 -70.33 0.4 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.1 161.24 27.22 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.644 -1.169 . . . . 0.0 111.267 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.9 m -109.73 155.91 20.96 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.965 -176.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -129.87 120.49 25.01 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 m -104.77 114.39 28.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 m -98.14 110.43 56.03 Favored Pre-proline 0 C--N 1.361 1.077 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.205 -169.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.66 156.17 64.34 Favored 'Trans proline' 0 C--N 1.366 1.486 0 CA-C-N 121.263 1.487 . . . . 0.0 112.831 -165.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--N 1.356 0.866 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 173.823 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 CA--C 1.513 -0.48 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.67 143.85 13.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.0 pt -134.73 142.72 39.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.11 67.81 2.64 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -167.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.21 138.28 46.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.59 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -67.23 89.25 0.19 Allowed 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.25 11.7 p -83.0 154.01 24.69 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -116.64 -22.49 8.62 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.888 159.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -129.35 142.9 42.77 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 CA-C-O 124.104 1.907 . . . . 0.0 112.876 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -63.7 -33.81 76.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 120.198 -1.564 . . . . 0.0 108.415 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 111.192 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.35 -22.87 61.09 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.923 1.692 . . . . 0.0 111.554 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.2 m -77.53 -30.92 53.07 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.695 1.589 . . . . 0.0 112.198 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.09 -41.62 90.43 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 116.92 -1.514 . . . . 0.0 110.199 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.04 -62.43 2.84 Favored Pre-proline 0 C--N 1.357 0.911 0 CA-C-N 122.161 2.255 . . . . 0.0 111.736 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.15 -26.28 50.01 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 124.594 2.676 . . . . 0.0 111.852 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.57 -45.98 87.88 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.83 1.65 . . . . 0.0 108.14 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -61.6 -49.57 76.09 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.275 -1.516 . . . . 0.0 109.571 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -48.33 -48.9 35.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.897 -174.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.53 -56.18 18.07 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.609 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.11 57.84 0.02 OUTLIER Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.2 mmt -117.65 146.02 43.97 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.304 -172.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -78.96 -36.71 41.06 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.665 -2.112 . . . . 0.0 107.816 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.07 160.1 32.18 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.039 1.745 . . . . 0.0 113.194 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.97 110.04 0.88 Allowed Glycine 0 C--N 1.358 1.804 0 N-CA-C 106.826 -2.509 . . . . 0.0 106.826 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -124.83 133.32 53.15 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 115.405 -2.236 . . . . 0.0 105.002 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -115.61 149.68 37.89 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 121.551 1.978 . . . . 0.0 106.155 170.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.5 mmm -114.28 138.1 50.93 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 103.529 -2.767 . . . . 0.0 103.529 169.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -46.79 94.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.205 1.366 . . . . 0.0 109.855 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.65 -69.56 0.39 Allowed Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.28 -176.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 20.2 mtpp -118.34 152.98 34.77 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.098 -1.906 . . . . 0.0 110.195 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -90.98 147.27 23.21 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -126.72 108.66 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.5 m -101.83 140.37 36.22 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.138 -1.411 . . . . 0.0 107.259 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 m -116.24 108.69 45.4 Favored Pre-proline 0 C--N 1.357 0.933 0 CA-C-O 116.089 -1.91 . . . . 0.0 109.348 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.09 162.97 33.66 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.845 1.697 . . . . 0.0 112.976 -166.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.3 tptt . . . . . 0 C--N 1.357 0.928 0 C-N-CA 118.575 -1.25 . . . . 0.0 110.669 176.323 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.97 146.7 6.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.61 139.97 49.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -102.54 68.81 1.07 Allowed 'General case' 0 C--N 1.358 0.965 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.89 141.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.124 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.55 89.03 0.95 Allowed 'General case' 0 C--N 1.36 1.051 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.288 0.5 OUTLIER -80.32 167.93 19.65 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 178.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -125.07 -32.66 2.98 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 126.413 2.321 . . . . 0.0 112.485 156.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.29 151.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-O 124.201 1.953 . . . . 0.0 114.722 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -68.24 -32.85 73.33 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.012 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.62 -41.33 98.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 121.462 1.937 . . . . 0.0 110.018 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.52 -29.09 66.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.093 -1.908 . . . . 0.0 112.111 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.37 -20.1 34.86 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.96 1.709 . . . . 0.0 113.227 169.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.44 -38.5 90.04 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.166 -1.397 . . . . 0.0 108.265 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -62.32 3.61 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-N 121.657 2.026 . . . . 0.0 111.979 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.19 -27.69 41.21 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-N 124.739 2.728 . . . . 0.0 111.781 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.2 -53.24 59.35 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.784 1.629 . . . . 0.0 108.581 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -63.91 -38.4 90.94 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.203 -1.561 . . . . 0.0 109.924 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.13 -51.83 67.75 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.192 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.89 78.47 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.705 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.08 53.89 0.05 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 mmt -114.24 143.2 45.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -171.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -83.19 -28.87 29.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.539 -2.172 . . . . 0.0 107.24 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.16 161.42 29.31 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.519 1.509 . . . . 0.0 112.569 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 113.1 1.25 Allowed Glycine 0 C--N 1.36 1.892 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.36 124.31 33.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.867 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 38.2 t -110.72 140.61 44.95 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-N 121.496 1.953 . . . . 0.0 107.68 171.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.3 mtt -114.17 135.42 54.06 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 167.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.93 96.31 0.01 OUTLIER 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.204 0.94 . . . . 0.0 110.268 -171.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.2 -71.33 0.36 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.21 172.43 10.06 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 117.091 -1.433 . . . . 0.0 109.463 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -121.95 155.66 35.04 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 119.099 0.863 . . . . 0.0 111.506 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -130.28 116.39 18.29 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -104.16 126.8 51.56 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -101.29 122.26 48.88 Favored Pre-proline 0 C--N 1.357 0.935 0 CA-C-O 115.472 -2.204 . . . . 0.0 108.718 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.06 155.98 56.41 Favored 'Trans proline' 0 C--N 1.364 1.368 0 CA-C-N 121.989 1.746 . . . . 0.0 112.794 -168.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' OXT' ' HG2' ' A' ' 38' ' ' LYS . 6.6 ttpm? . . . . . 0 C--N 1.358 0.956 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 68.8 t . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.0 pt -133.91 143.47 38.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 173.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -101.26 72.8 1.46 Allowed 'General case' 0 C--N 1.357 0.92 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -172.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.02 138.6 53.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.315 -1.326 . . . . 0.0 109.146 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -66.46 100.39 0.65 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-O 116.776 -1.583 . . . . 0.0 107.548 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 p -84.61 161.24 20.21 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 171.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -116.46 -40.55 3.21 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.92 1.388 . . . . 0.0 108.893 160.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 pt -122.09 142.56 37.95 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 CA-C-O 124.421 2.058 . . . . 0.0 114.151 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -62.08 -32.86 73.45 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 117.15 -1.405 . . . . 0.0 108.863 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 24.3 tpt180 -63.04 -38.57 91.72 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.91 1.686 . . . . 0.0 111.057 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.31 -27.97 64.8 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 116.002 -1.952 . . . . 0.0 111.552 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -82.64 -20.19 36.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.975 1.716 . . . . 0.0 113.205 168.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.62 -39.85 84.68 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.129 -1.415 . . . . 0.0 108.761 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 2.8 mp0 -53.62 -61.09 5.63 Favored Pre-proline 0 C--N 1.357 0.895 0 CA-C-N 121.769 2.077 . . . . 0.0 111.839 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.33 -24.34 43.52 Favored 'Trans proline' 0 C--N 1.357 0.977 0 CA-C-N 125.088 2.853 . . . . 0.0 112.075 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.37 -42.05 90.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.056 1.753 . . . . 0.0 107.134 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.031 -1.668 . . . . 0.0 110.365 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -55.58 -37.62 68.31 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.831 1.196 . . . . 0.0 111.06 -171.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -56.02 9.26 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.066 0.848 . . . . 0.0 109.469 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.56 52.77 0.02 OUTLIER Glycine 0 C--N 1.354 1.555 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.42 133.52 54.45 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -82.55 -22.47 34.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.424 -2.226 . . . . 0.0 107.149 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -136.76 168.18 20.01 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 121.094 1.77 . . . . 0.0 111.411 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.92 128.02 2.76 Favored Glycine 0 C--N 1.358 1.762 0 CA-C-O 117.548 -1.696 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.65 125.19 29.8 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.601 -2.142 . . . . 0.0 106.354 -178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.3 t -109.07 140.41 42.66 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 169.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.2 mtm -114.99 124.49 51.8 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -33.51 89.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.184 1.552 . . . . 0.0 112.399 -168.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.37 -72.32 0.29 Allowed Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HZ2' ' HB3' ' A' ' 32' ' ' LYS . 6.3 mtpm? -124.26 165.01 18.38 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.731 -1.604 . . . . 0.0 108.991 -173.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m -113.89 153.83 28.55 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -126.4 111.23 14.23 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -98.99 127.35 44.89 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 m -110.21 110.46 58.4 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 116.237 -1.84 . . . . 0.0 109.736 -166.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 153.72 72.94 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.338 1.359 . . . . 0.0 110.369 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--N 1.356 0.889 0 C-N-CA 117.226 -1.789 . . . . 0.0 108.721 175.156 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.96 141.99 13.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.9 pt -127.82 130.94 70.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -95.34 75.57 3.37 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -174.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.62 141.93 37.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.124 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -73.15 93.68 1.86 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 p -83.78 164.11 19.76 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 119.479 1.036 . . . . 0.0 109.899 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -126.06 -48.22 1.61 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.565 167.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -117.56 130.12 72.95 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-O 123.225 1.488 . . . . 0.0 111.803 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -53.59 -34.72 59.42 Favored 'General case' 0 CA--C 1.504 -0.795 0 O-C-N 120.436 -1.415 . . . . 0.0 108.578 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -60.68 -42.17 96.57 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.949 1.249 . . . . 0.0 111.69 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.67 -21.63 63.51 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.108 -1.901 . . . . 0.0 111.727 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.26 -21.59 31.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.835 1.652 . . . . 0.0 113.391 167.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.2 -44.55 88.0 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.308 1.413 . . . . 0.0 107.342 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.43 -62.05 3.12 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.154 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.62 -28.61 60.89 Favored 'Trans proline' 0 C--N 1.357 1.019 0 CA-C-N 124.91 2.789 . . . . 0.0 112.061 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -58.23 -48.52 80.11 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.561 1.528 . . . . 0.0 108.127 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.52 -45.84 91.13 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.354 . . . . 0.0 109.698 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -48.17 -46.85 35.13 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.886 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -63.7 1.0 Allowed 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.338 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' C ' ' SD ' ' A' ' 23' ' ' MET . . . 169.41 45.44 0.03 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.804 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -113.76 149.98 34.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.293 -172.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -97.48 -19.61 18.29 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 115.649 -2.12 . . . . 0.0 110.32 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.91 172.95 12.26 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.945 2.157 . . . . 0.0 111.514 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.84 132.82 2.21 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.52 -1.711 . . . . 0.0 111.431 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -129.9 150.18 51.3 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 115.392 -2.242 . . . . 0.0 110.0 -175.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.9 t -116.16 134.52 54.84 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 121.914 2.143 . . . . 0.0 108.98 170.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.401 ' N ' ' SD ' ' A' ' 29' ' ' MET . 4.0 mpp? -130.12 159.81 35.67 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 117.596 -1.193 . . . . 0.0 108.357 175.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.7 t30 46.57 -100.77 0.06 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.907 -1.521 . . . . 0.0 109.18 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.73 17.93 3.02 Favored Glycine 0 C--N 1.357 1.706 0 CA-C-O 115.526 -2.819 . . . . 0.0 113.868 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -127.52 154.13 45.51 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 122.055 2.928 . . . . 0.0 109.025 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m -103.61 155.14 18.77 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.672 1.232 . . . . 0.0 109.585 -173.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -128.27 112.23 14.24 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.0 m -98.32 128.24 44.65 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 m -115.55 109.34 45.97 Favored Pre-proline 0 C--N 1.355 0.811 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.243 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 162.66 39.35 Favored 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 120.333 1.155 . . . . 0.0 110.731 -165.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 177.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.63 136.92 56.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.18 109.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -91.18 84.25 5.65 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -173.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.57 145.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.15 97.66 1.23 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.181 1.355 . . . . 0.0 107.44 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.73 169.54 14.16 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 119.881 1.219 . . . . 0.0 109.325 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -123.94 -49.86 1.84 Allowed 'General case' 0 C--N 1.357 0.922 0 O-C-N 124.384 1.053 . . . . 0.0 110.659 165.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -118.34 131.35 71.37 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 123.081 1.419 . . . . 0.0 112.181 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -57.55 -29.93 64.81 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.221 -1.549 . . . . 0.0 108.305 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -45.32 95.13 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.66 1.573 . . . . 0.0 110.334 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.79 -20.66 65.22 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.138 -1.887 . . . . 0.0 112.17 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.5 m -87.1 -14.11 42.29 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.814 1.643 . . . . 0.0 113.831 167.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.38 -54.36 25.29 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 174.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -42.96 -60.56 2.26 Favored Pre-proline 0 C--N 1.355 0.816 0 CA-C-N 120.941 1.701 . . . . 0.0 113.303 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.84 -33.53 33.44 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 125.375 2.955 . . . . 0.0 111.61 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.097 1.317 . . . . 0.0 110.625 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -35.9 57.76 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 121.716 2.053 . . . . 0.0 109.259 177.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -52.49 -45.56 66.22 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 120.526 1.512 . . . . 0.0 108.606 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.09 25.25 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.256 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.22 60.96 0.07 OUTLIER Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -101.87 152.77 20.51 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ttp-105 -86.43 -35.29 19.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 115.496 -2.193 . . . . 0.0 107.073 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -126.2 157.42 38.25 Favored 'General case' 0 C--N 1.37 1.458 0 CA-C-N 120.69 1.587 . . . . 0.0 111.373 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.85 112.08 0.76 Allowed Glycine 0 C--N 1.361 1.937 0 CA-C-O 116.43 -2.317 . . . . 0.0 111.043 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -133.36 148.07 51.83 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 120.867 2.334 . . . . 0.0 110.151 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -117.48 147.08 43.06 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 162.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' GLY . 83.0 mtp -114.91 128.0 56.03 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 167.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -36.96 91.88 0.0 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.972 1.42 . . . . 0.0 111.055 -168.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 150.62 -74.63 0.26 Allowed Glycine 0 C--N 1.353 1.512 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.032 1.416 . . . . 0.0 110.862 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.6 m -98.98 138.01 36.7 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.909 0.756 . . . . 0.0 111.155 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -135.64 118.49 16.21 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-O 117.637 -1.173 . . . . 0.0 108.599 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.6 m -119.98 162.54 19.04 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.265 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -115.56 134.2 22.67 Favored Pre-proline 0 C--N 1.361 1.074 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.928 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.74 162.81 40.21 Favored 'Trans proline' 0 C--N 1.362 1.267 0 CA-C-N 121.857 1.699 . . . . 0.0 110.776 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? . . . . . 0 CA--C 1.505 -0.763 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 170.235 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.52 149.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.33 135.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -99.72 70.65 1.66 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.949 0.795 . . . . 0.0 108.864 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -114.96 145.52 20.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.928 -1.035 . . . . 0.0 108.585 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.44 94.48 0.74 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 p -82.28 165.62 20.24 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 120.099 1.318 . . . . 0.0 109.248 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 9' ' ' LYS . 4.2 ttmp? -123.71 -51.3 1.82 Allowed 'General case' 0 C--N 1.357 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 110.122 169.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.57 132.26 69.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 CA-C-O 123.366 1.555 . . . . 0.0 112.71 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -54.9 -33.94 62.57 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.981 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.2 -39.88 95.9 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.709 1.595 . . . . 0.0 111.523 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.47 -24.34 62.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.147 -1.883 . . . . 0.0 111.98 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.62 -17.31 36.54 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.832 1.651 . . . . 0.0 113.384 168.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.76 -41.31 75.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.933 -1.508 . . . . 0.0 108.05 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -54.77 -59.69 9.9 Favored Pre-proline 0 C--N 1.355 0.817 0 CA-C-N 121.999 2.181 . . . . 0.0 112.448 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.89 -33.35 52.81 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 125.09 2.854 . . . . 0.0 111.763 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.07 -35.82 74.01 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.943 1.247 . . . . 0.0 109.308 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -69.61 -44.11 71.38 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.429 1.468 . . . . 0.0 110.539 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -51.59 -44.93 62.98 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.699 1.59 . . . . 0.0 109.501 -172.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.23 36.62 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.472 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.81 61.23 0.06 OUTLIER Glycine 0 C--N 1.356 1.655 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -102.49 150.56 23.26 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 118.884 -0.579 . . . . 0.0 110.996 -176.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -75.07 -38.9 61.16 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 116.562 -1.685 . . . . 0.0 107.502 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -135.83 153.43 51.5 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.126 1.33 . . . . 0.0 113.195 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 106.97 0.67 Allowed Glycine 0 C--N 1.36 1.91 0 CA-C-O 116.884 -2.064 . . . . 0.0 108.247 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.69 131.32 43.0 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 114.68 -2.581 . . . . 0.0 107.714 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -110.09 142.29 41.75 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 122.522 2.419 . . . . 0.0 106.997 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 94.4 mtp -113.78 134.57 54.69 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 171.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -40.5 94.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.76 1.288 . . . . 0.0 111.036 -169.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.27 -70.51 0.34 Allowed Glycine 0 C--N 1.355 1.608 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -129.09 156.71 43.44 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.324 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 39.6 m -98.04 135.53 39.6 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.431 1.014 . . . . 0.0 110.018 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -126.48 108.28 11.03 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -114.07 163.12 15.6 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.402 -1.285 . . . . 0.0 109.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -127.73 135.77 27.97 Favored Pre-proline 0 C--N 1.361 1.087 0 CA-C-O 115.548 -2.168 . . . . 0.0 108.06 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.83 162.84 40.75 Favored 'Trans proline' 0 C--N 1.365 1.421 0 CA-C-N 121.032 1.404 . . . . 0.0 110.648 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 174.284 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mm -108.07 145.89 14.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.1 pt -139.27 119.89 14.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 173.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -92.88 78.87 4.69 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -172.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.69 138.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.702 -176.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 103.57 0.46 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 p -90.3 160.91 15.9 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 121.183 1.811 . . . . 0.0 107.197 175.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -122.56 -31.39 3.76 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.151 159.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -126.74 136.46 60.75 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.801 1.762 . . . . 0.0 113.159 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.1 p -60.32 -30.93 69.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.358 -1.464 . . . . 0.0 108.429 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.75 1.614 . . . . 0.0 111.432 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.88 -27.52 65.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 116.368 -1.777 . . . . 0.0 111.367 -175.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -83.72 -21.55 32.28 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.471 1.487 . . . . 0.0 113.344 170.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.48 -35.84 82.1 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.255 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 -64.19 2.13 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-N 122.262 2.301 . . . . 0.0 111.967 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.98 -27.35 58.14 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 124.819 2.757 . . . . 0.0 112.14 -176.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.8 m -59.62 -43.62 93.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.364 1.438 . . . . 0.0 107.92 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.98 -48.01 82.25 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.955 -1.716 . . . . 0.0 108.894 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -52.23 -47.53 65.63 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.593 -176.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.99 62.89 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.128 -179.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 53.76 0.03 OUTLIER Glycine 0 C--N 1.353 1.492 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.65 137.64 50.62 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.541 -0.743 . . . . 0.0 110.524 -168.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -26.89 51.11 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 116.306 -1.807 . . . . 0.0 108.175 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -140.17 165.49 27.24 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-N 120.685 1.584 . . . . 0.0 112.837 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.99 2.85 Favored Glycine 0 C--N 1.358 1.798 0 CA-C-O 117.258 -1.857 . . . . 0.0 108.513 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 2.6 mmmp? -131.74 129.53 40.74 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 115.488 -2.196 . . . . 0.0 107.482 -176.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.2 t -112.35 144.0 42.51 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 121.507 1.958 . . . . 0.0 107.104 169.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ASN . 14.8 mmt -113.87 119.01 35.83 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 170.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' MET . 7.2 t30 -29.01 90.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 125.289 1.618 . . . . 0.0 111.738 -173.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.27 -75.26 0.27 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.37 158.14 31.76 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 118.79 1.295 . . . . 0.0 109.826 -175.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.6 m -104.02 153.47 20.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 124.296 0.998 . . . . 0.0 111.253 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -130.22 121.74 26.77 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 -178.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.5 m -103.41 138.14 40.56 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.3 m -112.89 106.75 55.05 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.096 -169.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -70.55 150.18 63.03 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.519 1.479 . . . . 0.0 111.444 -169.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.357 0.932 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.506 176.928 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 CA--C 1.514 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.11 144.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.2 pt -130.07 143.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -97.87 76.65 2.45 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -127.86 120.15 53.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.947 -174.035 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -44.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.647 170.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.1 p -84.61 165.08 18.26 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 120.367 1.439 . . . . 0.0 108.505 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -120.81 -48.99 2.24 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.66 1.225 . . . . 0.0 109.397 167.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -122.24 139.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.366 1.317 0 CA-C-O 123.716 1.722 . . . . 0.0 113.091 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -62.09 -28.58 69.72 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.64 -177.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -39.3 90.78 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.282 1.855 . . . . 0.0 110.974 176.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.23 -26.33 63.8 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 115.721 -2.085 . . . . 0.0 111.644 -175.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -84.11 -21.56 31.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.174 1.807 . . . . 0.0 113.257 168.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.902 1.228 . . . . 0.0 107.733 175.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.16 -62.97 4.2 Favored Pre-proline 0 C--N 1.354 0.8 0 CA-C-O 116.328 -1.796 . . . . 0.0 112.451 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.35 -27.52 47.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 CA-C-N 125.073 2.848 . . . . 0.0 112.413 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.1 m -56.98 -43.77 82.0 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.552 1.524 . . . . 0.0 107.721 176.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -63.91 -50.28 69.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.842 -1.161 . . . . 0.0 108.602 178.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -44.85 -50.26 10.41 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.209 -175.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -56.29 14.09 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.546 -177.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.25 54.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.485 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.984 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.68 148.0 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.219 -174.244 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -92.63 -17.45 24.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 115.895 -2.002 . . . . 0.0 109.631 175.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.44 162.42 34.5 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 121.571 1.987 . . . . 0.0 113.204 172.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.03 119.49 1.54 Allowed Glycine 0 C--N 1.36 1.864 0 CA-C-O 117.319 -1.823 . . . . 0.0 109.182 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -133.51 126.69 31.62 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.326 -2.273 . . . . 0.0 107.809 -175.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 26.0 t -110.76 140.57 45.05 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 121.758 2.072 . . . . 0.0 106.851 172.068 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 31' ' ' GLY . 26.2 mmt -111.79 131.58 55.24 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.329 -2.471 . . . . 0.0 104.329 171.49 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -37.32 92.36 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.145 1.528 . . . . 0.0 111.534 -170.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.97 -71.65 0.33 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -178.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -123.72 158.18 32.23 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 116.841 -1.552 . . . . 0.0 109.141 -171.517 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 13.6 m -105.0 149.34 25.85 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.425 1.011 . . . . 0.0 110.286 -177.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -122.85 116.98 24.57 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.49 130.5 46.58 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 177.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.4 m -109.79 104.58 55.76 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.446 -1.74 . . . . 0.0 108.083 -169.398 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.03 158.57 56.16 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 120.621 1.257 . . . . 0.0 111.176 -167.14 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.355 0.836 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.93 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 116.434 -1.746 . . . . 0.0 106.703 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.9 142.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.66 136.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 172.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -93.56 72.33 4.34 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -168.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -112.37 134.09 56.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.779 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -63.27 86.86 0.03 OUTLIER 'General case' 0 C--N 1.358 0.944 0 CA-C-N 119.658 1.117 . . . . 0.0 108.354 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -81.3 158.23 24.83 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.633 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 5.8 ttpm? -115.85 -42.04 3.14 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.523 1.139 . . . . 0.0 110.621 165.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -121.44 138.36 52.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 CA-C-O 123.52 1.629 . . . . 0.0 112.322 -176.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -32.96 67.35 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.511 -1.368 . . . . 0.0 109.374 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.14 90.0 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.437 1.017 . . . . 0.0 111.279 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.36 -22.04 61.21 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.9 m -79.06 -24.13 43.77 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.895 1.68 . . . . 0.0 112.362 166.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.12 -51.4 64.13 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 2.5 mp0 -45.6 -62.2 1.91 Allowed Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 121.656 2.025 . . . . 0.0 113.192 -175.015 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.19 -30.6 82.13 Favored 'Trans proline' 0 C--N 1.355 0.894 0 CA-C-N 125.121 2.865 . . . . 0.0 111.316 -178.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.7 -43.96 93.87 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.503 1.501 . . . . 0.0 110.449 177.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -37.47 68.65 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.671 1.578 . . . . 0.0 110.299 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HB3' ' HZ2' ' A' ' 20' ' ' LYS . 8.5 mtpm? -57.41 -46.42 83.53 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.201 0.909 . . . . 0.0 108.701 -177.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.79 24.57 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.892 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.57 55.92 0.02 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-N 118.328 0.513 . . . . 0.0 112.041 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.39 152.08 24.66 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.975 -0.536 . . . . 0.0 112.077 -174.043 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.479 HH21 ' HE3' ' A' ' 38' ' ' LYS . 44.2 ttm180 -84.29 -32.73 24.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.319 -1.801 . . . . 0.0 108.712 173.543 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -139.42 168.73 19.17 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-N 121.047 1.749 . . . . 0.0 112.493 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.41 126.64 2.97 Favored Glycine 0 C--N 1.359 1.806 0 CA-C-O 117.714 -1.603 . . . . 0.0 109.819 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tppp? -129.51 131.78 46.71 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 115.111 -2.376 . . . . 0.0 105.275 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 7.6 t -114.85 147.4 39.93 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 122.611 2.459 . . . . 0.0 106.014 169.332 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' GLY . 50.0 mtm -117.84 137.09 53.0 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 170.137 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -44.36 92.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.771 1.295 . . . . 0.0 109.921 -168.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 152.76 -74.12 0.25 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 -173.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 57.2 mtmt -126.72 153.07 45.97 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.177 1.489 . . . . 0.0 111.668 -171.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.55 149.86 24.08 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -125.6 113.05 16.89 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 173.343 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -99.38 133.91 43.01 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -112.64 101.38 52.65 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 116.466 -1.73 . . . . 0.0 107.385 -170.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.61 159.2 54.56 Favored 'Trans proline' 0 C--N 1.364 1.361 0 CA-C-N 121.005 1.395 . . . . 0.0 111.55 -166.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE3' HH21 ' A' ' 24' ' ' ARG . 87.8 tttt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.13 143.04 13.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.5 pt -131.25 130.15 63.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 169.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -94.25 78.45 3.97 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -170.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.4 t -126.58 132.19 70.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.302 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HZ1' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -59.22 97.28 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.939 178.515 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.9 p -88.53 169.17 11.97 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 121.291 1.86 . . . . 0.0 108.432 179.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.63 -53.73 1.77 Allowed 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.732 1.27 . . . . 0.0 107.751 164.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -117.87 144.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-O 124.335 2.017 . . . . 0.0 114.813 -177.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -59.19 -35.23 73.22 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.586 -177.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -64.19 -39.58 94.28 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.331 1.423 . . . . 0.0 111.266 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.27 -26.76 65.82 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 121.199 1.818 . . . . 0.0 111.175 -174.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -85.14 -17.79 36.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.345 1.43 . . . . 0.0 113.679 168.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.3 -46.03 78.33 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.012 178.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.31 -60.81 4.58 Favored Pre-proline 0 C--N 1.356 0.853 0 CA-C-N 121.322 1.874 . . . . 0.0 111.94 -179.238 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.1 -26.62 57.67 Favored 'Trans proline' 0 C--N 1.357 1.003 0 CA-C-N 124.843 2.765 . . . . 0.0 112.105 -177.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -60.7 -40.93 94.05 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.965 1.712 . . . . 0.0 108.613 174.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.18 -44.73 78.93 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.967 -1.708 . . . . 0.0 108.69 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -47.59 -51.08 22.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.795 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.66 64.92 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.843 -176.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.22 58.32 0.05 OUTLIER Glycine 0 C--N 1.352 1.456 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 mmt -118.06 137.67 52.75 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.433 -172.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.81 -30.75 59.13 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 115.762 -2.065 . . . . 0.0 108.153 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -131.69 165.32 23.98 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.528 1.967 . . . . 0.0 112.996 -177.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.25 122.92 2.29 Favored Glycine 0 C--N 1.359 1.824 0 CA-C-O 117.389 -1.784 . . . . 0.0 109.55 -177.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -132.31 132.33 42.86 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.043 -178.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.0 t -111.59 141.31 45.34 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 166.02 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -112.43 126.3 55.15 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 170.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -34.63 90.74 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 O-C-N 125.176 1.548 . . . . 0.0 111.907 -170.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.48 -72.38 0.31 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -178.031 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.88 161.52 22.64 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.219 -175.342 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.8 m -107.77 152.84 23.82 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.332 1.02 . . . . 0.0 110.644 -177.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -131.94 117.96 19.14 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.1 138.96 38.36 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.087 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -112.02 103.32 55.18 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 116.701 -1.619 . . . . 0.0 109.307 -168.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.16 162.06 31.84 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.467 1.445 . . . . 0.0 114.191 -164.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 C--N 1.356 0.88 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.867 169.121 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 CA--C 1.511 -0.524 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.3 143.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-O 116.608 -1.663 . . . . 0.0 106.736 -176.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -137.3 138.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 120.306 1.412 . . . . 0.0 107.531 172.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.47 62.24 0.93 Allowed 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.038 0.835 . . . . 0.0 109.05 -171.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.45 140.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 117.803 -1.094 . . . . 0.0 109.839 -176.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -72.13 95.78 1.69 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.48 165.09 17.43 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 118.971 0.805 . . . . 0.0 109.968 -176.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -119.5 -49.4 2.36 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.485 1.116 . . . . 0.0 108.894 164.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 pt -122.03 138.61 51.7 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 CA-C-O 123.786 1.755 . . . . 0.0 113.574 -179.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -55.54 -36.11 66.42 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.757 -1.214 . . . . 0.0 108.273 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -61.06 -40.37 93.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.98 1.264 . . . . 0.0 111.939 178.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -70.06 -25.7 63.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 121.023 1.738 . . . . 0.0 111.266 -175.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.95 -22.37 33.79 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.432 1.469 . . . . 0.0 113.049 169.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.38 -39.05 88.84 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.537 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.03 -63.29 2.47 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-N 122.163 2.256 . . . . 0.0 112.078 178.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.53 -26.27 40.38 Favored 'Trans proline' 0 C--N 1.356 0.961 0 CA-C-N 124.82 2.757 . . . . 0.0 112.767 -176.004 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -58.15 -42.16 85.32 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.111 1.778 . . . . 0.0 106.907 173.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -63.17 -55.62 23.6 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.089 -1.632 . . . . 0.0 107.706 -178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -51.84 -38.12 54.64 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.09 0.859 . . . . 0.0 111.676 -171.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.13 -57.95 7.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.97 52.2 0.01 OUTLIER Glycine 0 C--N 1.352 1.453 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.142 176.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mmt -117.38 137.0 52.76 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.705 -171.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -74.99 -32.21 61.6 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 115.885 -2.007 . . . . 0.0 107.749 176.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -135.31 170.0 16.61 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-N 121.371 1.896 . . . . 0.0 112.911 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.36 130.43 2.33 Favored Glycine 0 C--N 1.358 1.799 0 CA-C-O 117.368 -1.796 . . . . 0.0 112.392 175.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.29 146.18 44.37 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 115.808 -2.044 . . . . 0.0 108.923 -171.015 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.93 134.83 54.57 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 121.797 2.09 . . . . 0.0 109.477 170.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 57.8 mtt -126.77 159.52 33.55 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.213 -1.375 . . . . 0.0 108.209 173.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.2 t30 47.65 -102.82 0.09 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 116.872 -1.537 . . . . 0.0 108.208 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.84 23.89 2.45 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-O 116.333 -2.37 . . . . 0.0 112.895 171.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HZ2' ' HB3' ' A' ' 32' ' ' LYS . 6.3 mtpm? -125.23 151.6 45.68 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.764 2.282 . . . . 0.0 107.82 -177.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 m -105.96 157.04 17.78 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.21 0.944 . . . . 0.0 111.046 -173.002 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.76 117.53 19.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -175.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.1 m -102.49 130.02 49.18 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 178.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.5 m -112.0 105.37 56.43 Favored Pre-proline 0 C--N 1.359 0.992 0 CA-C-O 116.241 -1.838 . . . . 0.0 109.241 -169.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.97 157.61 34.51 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 122.016 1.811 . . . . 0.0 112.715 -166.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tttt . . . . . 0 C--N 1.357 0.902 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.813 173.199 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 CA--C 1.513 -0.446 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -103.83 149.62 7.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 178.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.9 pt -131.08 144.54 37.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -102.66 71.25 1.17 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -172.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -118.93 140.99 40.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.454 -177.089 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.69 94.18 0.09 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 p -83.4 164.1 20.16 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 119.733 1.151 . . . . 0.0 108.012 177.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -125.06 -47.62 1.77 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.301 1.001 . . . . 0.0 110.874 168.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -118.41 131.39 71.32 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 123.262 1.506 . . . . 0.0 111.961 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -55.55 -32.31 62.88 Favored 'General case' 0 CA--C 1.505 -0.759 0 O-C-N 120.57 -1.331 . . . . 0.0 108.888 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.49 -39.37 93.26 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.492 1.496 . . . . 0.0 111.509 176.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.32 -23.63 61.19 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.72 -2.086 . . . . 0.0 112.442 -176.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -83.99 -19.4 34.61 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 121.44 1.927 . . . . 0.0 112.799 166.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.42 -37.92 83.79 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.631 -1.652 . . . . 0.0 107.814 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -62.54 4.64 Favored Pre-proline 0 C--N 1.356 0.875 0 CA-C-N 122.732 2.514 . . . . 0.0 112.853 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.86 -29.51 50.04 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 124.921 2.793 . . . . 0.0 111.438 -176.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.35 -32.45 72.35 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.295 1.407 . . . . 0.0 109.957 175.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.71 -45.45 71.52 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.472 1.487 . . . . 0.0 108.884 176.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.673 0.669 . . . . 0.0 109.485 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.86 77.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.22 60.96 0.45 Allowed Glycine 0 C--N 1.354 1.55 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mmt -108.31 144.07 36.33 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.593 -174.471 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -80.33 -29.06 38.02 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.071 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -128.36 154.2 46.24 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 120.342 1.428 . . . . 0.0 111.473 176.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.63 92.72 0.17 Allowed Glycine 0 C--N 1.36 1.908 0 CA-C-O 117.335 -1.814 . . . . 0.0 108.832 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -128.93 152.36 48.65 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.44 -1.743 . . . . 0.0 108.991 -177.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -116.16 149.74 38.57 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 120.038 1.29 . . . . 0.0 107.949 171.465 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' GLY . 24.2 mmt -111.7 135.32 52.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 167.531 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -42.93 92.31 0.01 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.737 1.153 . . . . 0.0 111.404 -170.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.52 -67.8 0.4 Allowed Glycine 0 C--N 1.355 1.606 0 CA-C-O 118.24 -1.311 . . . . 0.0 109.909 -178.105 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -127.68 156.2 42.73 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 116.106 -1.902 . . . . 0.0 109.892 -171.202 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.8 m -99.97 142.56 31.28 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 120.25 1.386 . . . . 0.0 111.888 -176.589 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -128.6 106.51 9.01 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -174.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.7 m -115.34 158.91 21.73 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.533 176.382 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -128.34 136.62 29.36 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-O 115.37 -2.252 . . . . 0.0 109.173 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.07 164.81 33.46 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.694 1.641 . . . . 0.0 112.643 -170.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.357 0.905 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.376 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 CA--C 1.511 -0.556 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.99 144.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 179.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.18 141.49 45.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 174.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -101.47 67.04 1.12 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.964 0.802 . . . . 0.0 109.103 -172.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -111.39 143.27 21.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.485 -1.245 . . . . 0.0 109.233 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -72.49 84.07 1.11 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.9 p -86.92 159.16 19.13 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.404 -179.08 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -122.14 -47.26 2.15 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.711 -1.138 . . . . 0.0 111.128 175.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.58 145.17 26.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.326 0 CA-C-O 123.747 1.737 . . . . 0.0 113.703 -176.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -59.25 -40.99 87.74 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.868 -175.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 3.2 tmt_? -65.94 -34.69 78.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.242 -178.402 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.22 -26.79 64.03 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.535 1.97 . . . . 0.0 110.94 -178.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -84.36 -16.61 42.23 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.883 1.674 . . . . 0.0 113.32 168.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.84 -36.74 84.31 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.692 -1.623 . . . . 0.0 107.103 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -56.69 -59.04 13.52 Favored Pre-proline 0 C--N 1.355 0.809 0 CA-C-N 122.237 2.289 . . . . 0.0 113.931 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.76 -29.9 41.9 Favored 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 125.704 3.073 . . . . 0.0 112.298 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.24 -52.66 57.64 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.657 1.571 . . . . 0.0 109.14 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -35.82 80.07 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.283 -1.511 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.17 -48.6 81.05 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.774 0.715 . . . . 0.0 109.922 -175.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.98 9.86 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.106 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.04 51.29 0.01 OUTLIER Glycine 0 C--N 1.353 1.499 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.573 176.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.55 157.92 18.04 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.61 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -97.37 -22.41 16.64 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 116.243 -1.836 . . . . 0.0 110.275 175.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.26 168.1 25.03 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 121.834 2.106 . . . . 0.0 112.312 171.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.99 150.98 20.88 Favored Glycine 0 C--N 1.359 1.849 0 CA-C-O 117.68 -1.622 . . . . 0.0 113.314 170.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -136.57 159.26 42.35 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 118.879 1.34 . . . . 0.0 110.851 -172.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -117.87 109.87 17.06 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -120.79 149.07 43.13 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.528 -1.701 . . . . 0.0 108.054 -175.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 t30 48.61 -111.47 0.44 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.344 -1.789 . . . . 0.0 107.495 -176.313 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.8 17.93 4.89 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 116.933 -2.037 . . . . 0.0 112.467 172.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -118.9 167.23 11.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 120.671 2.236 . . . . 0.0 106.459 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.5 m -117.4 159.13 23.27 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.597 1.09 . . . . 0.0 110.399 179.081 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -127.16 116.34 20.49 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -177.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.0 m -103.17 122.17 44.17 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 176.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 p -107.34 116.0 58.73 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 115.888 -2.006 . . . . 0.0 105.879 -173.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.82 167.24 27.76 Favored 'Trans proline' 0 C--N 1.363 1.312 0 CA-C-N 121.328 1.51 . . . . 0.0 111.772 -166.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' OXT' ' HG2' ' A' ' 38' ' ' LYS . 87.1 tttt . . . . . 0 C--N 1.354 0.78 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.327 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.513 -0.443 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.1 mt -86.22 146.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 pt -128.65 139.74 51.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 120.092 1.315 . . . . 0.0 107.895 174.373 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -104.46 69.26 0.9 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 119.109 0.868 . . . . 0.0 109.002 -173.041 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -112.54 145.47 18.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.575 -177.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -69.39 88.04 0.46 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 176.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -86.92 152.42 22.45 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.343 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -45.18 2.96 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.587 1.179 . . . . 0.0 109.455 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -125.96 145.18 33.84 Favored 'Isoleucine or valine' 0 C--N 1.37 1.499 0 CA-C-O 124.172 1.939 . . . . 0.0 114.252 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.6 p -60.66 -34.66 74.63 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 120.536 -1.352 . . . . 0.0 109.143 -178.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.36 98.41 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.163 1.347 . . . . 0.0 110.084 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.5 -27.83 67.33 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.418 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.22 -18.05 43.93 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.306 1.412 . . . . 0.0 113.691 168.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -67.61 -43.45 80.42 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.168 -1.873 . . . . 0.0 107.974 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.295 26.6 mp0 -52.61 -61.61 4.41 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 122.883 2.583 . . . . 0.0 112.37 178.559 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.69 -28.14 44.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 CA-C-N 124.48 2.636 . . . . 0.0 112.705 -174.404 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -62.61 -44.94 95.04 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.583 1.538 . . . . 0.0 107.228 176.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.06 -46.5 90.44 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.815 -1.803 . . . . 0.0 108.83 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -49.03 -49.76 39.56 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.24 -177.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.36 42.69 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.519 -178.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.76 52.6 0.02 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 177.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.1 mmt -114.34 143.14 45.37 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.583 -168.198 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -22.16 24.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -176.114 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -148.88 170.03 19.2 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 121.838 2.108 . . . . 0.0 112.967 172.306 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.89 149.59 19.27 Favored Glycine 0 C--N 1.361 1.972 0 CA-C-O 117.686 -1.619 . . . . 0.0 113.331 169.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -136.42 159.03 43.01 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 117.21 -1.376 . . . . 0.0 110.659 -171.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.4 t -116.89 109.77 17.48 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.239 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -117.68 145.04 44.68 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 107.795 -175.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 49.19 -111.19 0.45 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.292 -1.814 . . . . 0.0 107.515 -176.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.41 18.95 4.88 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.945 -2.031 . . . . 0.0 112.567 173.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.593 ' HZ2' ' HB3' ' A' ' 32' ' ' LYS . 6.2 mtpm? -122.03 166.05 15.09 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.717 2.258 . . . . 0.0 106.757 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.49 160.55 20.44 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.12 0.873 . . . . 0.0 110.503 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -129.62 121.59 27.36 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -177.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -105.83 127.92 53.41 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.593 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -115.26 117.32 41.23 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.54 -2.172 . . . . 0.0 108.998 -170.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.34 155.4 51.15 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.71 1.607 . . . . 0.0 112.948 -168.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? . . . . . 0 C--N 1.358 0.958 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 171.569 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.53 140.69 17.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 pt -142.24 117.58 5.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -88.7 89.84 8.16 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.5 142.05 43.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -65.89 91.18 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -177.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -82.42 163.34 21.72 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.582 ' HZ2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -120.15 -44.31 2.5 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.75 1.282 . . . . 0.0 110.143 165.326 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.62 142.55 39.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.423 1.583 . . . . 0.0 112.995 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -62.11 -28.98 70.01 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.952 -1.718 . . . . 0.0 110.016 -178.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.459 HH21 ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.19 -40.19 96.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 120.242 1.383 . . . . 0.0 109.187 176.891 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -74.18 -22.5 59.38 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 121.015 1.734 . . . . 0.0 111.973 -176.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -76.23 -27.81 56.93 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.755 1.616 . . . . 0.0 111.498 167.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' HG ' HH21 ' A' ' 12' ' ' ARG . 28.5 tp -66.36 -39.17 88.99 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-O 115.456 -2.211 . . . . 0.0 109.087 -178.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 10.8 mp0 -46.07 -68.15 0.32 Allowed Pre-proline 0 C--N 1.359 0.986 0 CA-C-N 124.108 3.14 . . . . 0.0 112.047 176.18 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.48 -28.87 45.46 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 124.507 2.645 . . . . 0.0 112.522 -174.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.3 m -58.71 -50.22 74.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.692 1.587 . . . . 0.0 108.434 178.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.77 -46.28 90.24 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.181 -0.95 . . . . 0.0 109.091 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -53.68 -46.4 70.65 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.688 -172.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.27 6.5 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.66 52.42 0.01 OUTLIER Glycine 0 C--N 1.354 1.536 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.447 178.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.26 149.69 28.28 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.151 -173.934 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -86.86 -29.69 22.01 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 115.035 -2.412 . . . . 0.0 107.572 173.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.44 157.1 43.54 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 121.918 2.145 . . . . 0.0 112.951 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.05 118.16 1.78 Allowed Glycine 0 C--N 1.361 1.942 0 CA-C-O 117.271 -1.849 . . . . 0.0 109.169 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -136.17 145.63 45.98 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 115.374 -2.25 . . . . 0.0 109.324 -173.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -124.41 154.59 40.19 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.514 2.416 . . . . 0.0 109.099 169.744 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.02 134.14 55.05 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 164.029 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -46.46 93.82 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 CA-C-N 120.037 1.289 . . . . 0.0 109.583 -171.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.36 -73.07 0.28 Allowed Glycine 0 C--N 1.353 1.51 0 N-CA-C 108.764 -1.735 . . . . 0.0 108.764 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -122.07 148.34 44.98 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.05 1.425 . . . . 0.0 112.137 -173.84 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.1 m -83.18 151.39 25.71 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.31 115.51 17.04 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 174.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.3 m -102.6 140.91 36.26 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 175.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.1 m -123.96 113.63 28.29 Favored Pre-proline 0 C--N 1.359 0.997 0 CA-C-O 116.634 -1.651 . . . . 0.0 108.066 -174.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.08 162.75 41.59 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 120.732 1.297 . . . . 0.0 111.763 -163.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.356 0.864 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.494 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t . . . . . 0 CA--C 1.513 -0.477 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.8 mm -75.49 146.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 177.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.33 137.92 45.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 171.126 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -100.1 69.7 1.52 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -170.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -123.78 138.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.334 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 99.59 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.498 -1.239 . . . . 0.0 108.34 178.401 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -86.52 162.46 18.04 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 121.218 1.826 . . . . 0.0 107.863 177.169 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -55.11 1.53 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 164.833 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -107.72 123.05 62.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 CA-C-O 123.117 1.436 . . . . 0.0 111.339 -178.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -51.0 -30.69 15.83 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.287 -1.508 . . . . 0.0 109.627 177.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.79 98.35 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.522 1.51 . . . . 0.0 111.307 177.627 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.33 -24.72 64.86 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 116.196 -1.859 . . . . 0.0 112.051 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.07 -18.86 41.64 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.741 1.609 . . . . 0.0 112.8 168.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -47.63 76.55 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.856 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.252 1.0 OUTLIER -44.73 -64.23 0.91 Allowed Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 121.728 2.058 . . . . 0.0 113.218 -176.669 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 -30.68 56.53 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 124.728 2.724 . . . . 0.0 112.089 -177.092 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.21 -44.54 79.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.629 1.559 . . . . 0.0 108.657 176.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -67.61 -45.97 73.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -178.501 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -51.19 -50.53 58.85 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.725 0.693 . . . . 0.0 110.049 -176.467 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -54.59 44.26 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.801 -177.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.58 53.49 0.02 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 121.229 -0.51 . . . . 0.0 111.948 177.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.35 145.45 32.84 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.462 -174.041 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -88.86 -25.48 22.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.393 -2.241 . . . . 0.0 107.255 175.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -137.86 170.99 15.1 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-N 121.329 1.877 . . . . 0.0 111.263 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.77 135.59 4.08 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.273 -1.293 . . . . 0.0 111.556 174.126 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -133.06 143.5 49.4 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 115.367 -2.254 . . . . 0.0 106.724 -174.437 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.255 37.1 t -109.03 140.67 42.25 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 121.894 2.134 . . . . 0.0 105.775 168.928 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASN . 69.4 mtp -113.41 104.35 12.2 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 174.87 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' MET . 41.9 t30 -17.65 89.2 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.025 1.453 . . . . 0.0 114.044 -171.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.49 -70.21 0.42 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.476 -1.85 . . . . 0.0 108.476 178.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -110.38 157.61 19.35 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 116.615 -1.659 . . . . 0.0 108.073 -177.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.7 m -106.21 155.27 19.64 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.594 1.088 . . . . 0.0 110.162 177.374 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -126.52 114.57 18.3 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.3 133.34 44.85 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 177.04 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -116.31 104.69 51.65 Favored Pre-proline 0 C--N 1.357 0.931 0 CA-C-O 116.726 -1.607 . . . . 0.0 108.55 -168.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.33 158.1 58.99 Favored 'Trans proline' 0 C--N 1.365 1.411 0 CA-C-N 120.569 1.239 . . . . 0.0 110.689 -166.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--N 1.355 0.835 0 C-N-CA 118.13 -1.428 . . . . 0.0 108.815 177.047 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.912 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.5 t -138.16 102.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.467 1.634 . . . . 0.0 106.768 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mm -93.68 149.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 pt -135.83 140.04 44.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -101.26 73.02 1.47 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -170.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.47 141.72 39.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.473 -1.251 . . . . 0.0 109.737 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -65.11 96.24 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -83.93 165.05 19.0 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -124.91 -47.75 1.79 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.403 1.064 . . . . 0.0 110.415 167.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt -118.24 134.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 CA-C-O 123.351 1.548 . . . . 0.0 112.33 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -58.63 -29.35 66.45 Favored 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 120.664 -1.273 . . . . 0.0 108.797 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -36.24 82.25 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.7 1.591 . . . . 0.0 111.849 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -72.21 -25.19 61.56 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 115.895 -2.003 . . . . 0.0 111.749 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.3 m -84.18 -17.81 38.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 121.252 1.842 . . . . 0.0 113.085 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -42.14 86.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 116.884 -1.531 . . . . 0.0 107.571 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -61.15 6.82 Favored Pre-proline 0 C--N 1.355 0.819 0 CA-C-N 121.747 2.067 . . . . 0.0 112.903 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.92 -28.89 58.18 Favored 'Trans proline' 0 C--N 1.357 1.005 0 CA-C-N 124.971 2.811 . . . . 0.0 111.505 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.15 -34.44 76.4 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.185 1.357 . . . . 0.0 109.922 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -69.56 -47.85 62.26 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.699 1.591 . . . . 0.0 108.111 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.74 -48.81 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.433 0.56 . . . . 0.0 110.221 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.65 83.41 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.16 62.03 0.25 Allowed Glycine 0 C--N 1.354 1.541 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.5 mmt -108.6 143.22 37.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 117.802 -1.094 . . . . 0.0 108.572 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.34 -40.22 62.31 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.383 -1.77 . . . . 0.0 107.048 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -115.54 152.27 33.32 Favored 'General case' 0 C--N 1.365 1.245 0 CA-C-N 120.205 1.366 . . . . 0.0 111.821 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.18 0.28 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 107.753 -2.139 . . . . 0.0 107.753 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.99 136.42 50.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 114.947 -2.454 . . . . 0.0 108.434 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 16.4 t -113.38 140.93 47.64 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-N 121.906 2.139 . . . . 0.0 107.088 171.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLY . 31.8 mmt -108.48 130.61 55.26 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 103.171 -2.899 . . . . 0.0 103.171 171.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -41.12 91.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.633 1.208 . . . . 0.0 111.574 -168.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 149.73 -68.92 0.33 Allowed Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.119 -1.378 . . . . 0.0 109.783 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -125.84 157.22 38.13 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.518 -1.706 . . . . 0.0 110.17 -172.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.2 m -101.74 139.06 37.9 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 119.616 1.098 . . . . 0.0 110.743 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.6 105.5 8.52 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.8 m -114.27 156.62 24.02 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.068 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.2 p -121.84 135.15 25.01 Favored Pre-proline 0 C--N 1.36 1.059 0 CA-C-O 115.432 -2.223 . . . . 0.0 109.303 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.2 153.44 62.16 Favored 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 121.509 1.575 . . . . 0.0 110.579 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.356 0.861 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.048 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.909 0 CA-C-O 117.204 -1.887 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.2 t -144.64 134.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 119.759 1.78 . . . . 0.0 107.866 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -116.15 148.33 18.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -128.55 137.32 57.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -98.14 71.22 2.11 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.824 1.193 . . . . 0.0 108.429 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -113.7 138.87 41.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.508 -1.234 . . . . 0.0 108.555 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.86 103.34 0.7 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -88.17 168.83 12.42 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 120.161 1.346 . . . . 0.0 107.946 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HZ1' ' HB2' ' A' ' 9' ' ' LYS . 4.6 ttmp? -120.47 -51.44 2.18 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.302 1.001 . . . . 0.0 109.186 165.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.26 143.97 31.84 Favored 'Isoleucine or valine' 0 C--N 1.368 1.406 0 CA-C-O 124.032 1.872 . . . . 0.0 113.892 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -61.31 -33.8 74.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.468 -1.253 . . . . 0.0 108.563 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -37.91 89.18 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.516 1.507 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.01 -26.46 62.23 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 115.574 -2.155 . . . . 0.0 111.998 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.39 -21.58 33.0 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 121.538 1.972 . . . . 0.0 113.275 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.3 -34.94 79.29 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.026 -1.464 . . . . 0.0 107.506 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -57.58 -63.45 3.77 Favored Pre-proline 0 C--N 1.354 0.773 0 CA-C-N 121.785 2.084 . . . . 0.0 112.852 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.6 -30.51 51.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 124.966 2.809 . . . . 0.0 111.931 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.6 m -59.49 -39.36 83.52 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.812 1.642 . . . . 0.0 110.058 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.73 89.83 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.705 -1.247 . . . . 0.0 109.549 177.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.78 -48.59 81.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 118.927 0.785 . . . . 0.0 109.497 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.23 81.56 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.408 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.24 59.82 0.28 Allowed Glycine 0 C--N 1.354 1.547 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.9 mmt -105.17 144.12 32.4 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.729 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.43 -26.83 41.76 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.545 -1.693 . . . . 0.0 108.442 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.35 158.24 44.87 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 120.41 1.459 . . . . 0.0 112.781 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.92 101.7 0.23 Allowed Glycine 0 C--N 1.363 2.064 0 CA-C-O 116.715 -2.158 . . . . 0.0 111.572 -173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 162.7 30.21 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.399 2.099 . . . . 0.0 110.437 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.3 t -120.9 143.99 48.66 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-O 117.542 -1.218 . . . . 0.0 108.795 165.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 30.9 mmt -109.24 125.45 52.27 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 168.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -39.08 93.72 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.068 1.304 . . . . 0.0 111.243 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -73.94 0.29 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -175.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -125.86 162.05 26.04 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.012 -1.47 . . . . 0.0 110.372 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 56.2 m -103.52 145.99 29.19 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.035 0.834 . . . . 0.0 112.329 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -130.3 102.81 6.36 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.9 m -115.83 162.65 17.0 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.181 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -132.77 138.96 33.14 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.542 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.85 166.08 30.98 Favored 'Trans proline' 0 C--N 1.364 1.343 0 CA-C-N 121.777 1.67 . . . . 0.0 112.522 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.606 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 5.7 ttpm? . . . . . 0 C--N 1.357 0.902 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.97 0 CA-C-O 118.103 -1.387 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.3 t -135.78 91.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.52 150.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.15 133.64 47.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -99.45 75.5 1.97 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.82 141.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.645 -1.169 . . . . 0.0 108.436 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.79 94.66 0.47 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 p -82.09 164.4 21.38 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 5.5 ttpm? -121.74 -39.79 2.6 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.278 164.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.87 137.85 56.15 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-O 123.729 1.728 . . . . 0.0 113.937 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.0 p -58.22 -34.98 71.01 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.489 -1.382 . . . . 0.0 108.745 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -62.96 -38.61 91.78 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.478 1.49 . . . . 0.0 111.495 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.79 -25.76 63.03 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.067 -1.92 . . . . 0.0 111.478 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.6 m -84.5 -17.52 38.77 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.947 1.703 . . . . 0.0 113.714 168.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.31 -42.0 80.06 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.432 -1.271 . . . . 0.0 107.987 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.63 -62.04 4.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 116.256 -1.83 . . . . 0.0 111.959 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.37 -29.94 53.85 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.803 2.751 . . . . 0.0 111.547 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.18 -48.78 78.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.163 1.347 . . . . 0.0 109.983 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -59.78 -46.98 87.51 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.75 2.068 . . . . 0.0 109.227 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -49.19 -46.47 45.6 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.105 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -60.91 2.12 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.08 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.49 53.92 0.01 OUTLIER Glycine 0 C--N 1.353 1.516 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.349 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.4 mmt -110.3 144.08 39.55 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.947 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -85.98 -31.59 21.99 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 115.633 -2.127 . . . . 0.0 109.581 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -114.93 149.37 37.38 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 121.533 1.969 . . . . 0.0 110.193 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.5 98.45 0.22 Allowed Glycine 0 C--N 1.359 1.812 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 147.51 50.22 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 115.63 -2.129 . . . . 0.0 108.084 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -115.88 143.91 44.77 Favored 'General case' 0 C--N 1.362 1.142 0 CA-C-N 121.104 1.774 . . . . 0.0 107.418 166.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 29.5 mmt -109.63 135.27 50.87 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 103.145 -2.909 . . . . 0.0 103.145 168.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -45.13 94.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.643 1.111 . . . . 0.0 110.36 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -69.47 0.35 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -176.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -131.71 159.86 37.15 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.735 -1.602 . . . . 0.0 110.383 -172.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 34.0 m -102.09 140.65 36.09 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.241 0.928 . . . . 0.0 111.347 -176.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -128.03 107.63 9.99 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -174.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.69 162.15 17.67 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.932 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -130.7 139.29 35.16 Favored Pre-proline 0 C--N 1.362 1.121 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.238 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.08 157.77 60.4 Favored 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 121.601 1.607 . . . . 0.0 111.278 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--N 1.355 0.805 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.012 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.523 ' H3 ' ' CD ' ' A' ' 37' ' ' PRO . . . . . . . . 0 N--CA 1.47 0.923 0 CA-C-O 117.493 -1.726 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -136.61 95.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -87.27 152.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 140.86 45.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -102.46 66.16 0.96 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -172.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.34 143.8 21.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.219 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -76.14 92.67 3.25 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.0 167.54 19.69 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 119.715 1.143 . . . . 0.0 109.108 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -122.03 -46.45 2.2 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.879 1.362 . . . . 0.0 110.219 163.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 pt -123.16 144.78 31.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 CA-C-O 123.986 1.851 . . . . 0.0 113.928 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.8 t -60.96 -37.89 84.01 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 120.744 -1.223 . . . . 0.0 108.431 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -61.86 -35.88 79.61 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.823 1.192 . . . . 0.0 112.114 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.1 -25.31 59.72 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.883 -2.008 . . . . 0.0 111.622 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.8 m -82.94 -19.91 36.3 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.3 1.863 . . . . 0.0 113.503 167.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.58 -44.62 81.74 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.725 -1.607 . . . . 0.0 107.662 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -61.37 5.46 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 122.431 2.378 . . . . 0.0 113.632 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.06 -30.07 65.91 Favored 'Trans proline' 0 C--N 1.357 1.014 0 CA-C-N 124.958 2.807 . . . . 0.0 111.123 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.3 m -62.0 -37.18 83.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.306 1.412 . . . . 0.0 109.932 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.18 -45.8 83.41 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.843 -1.785 . . . . 0.0 108.557 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -52.73 -49.2 65.89 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.479 0.582 . . . . 0.0 110.301 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.52 95.16 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.121 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.07 60.9 0.23 Allowed Glycine 0 C--N 1.354 1.569 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mmt -109.6 143.97 38.56 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.037 -0.982 . . . . 0.0 108.767 -173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -79.86 -24.41 41.28 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 116.567 -1.682 . . . . 0.0 108.043 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.22 159.47 42.13 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.252 1.387 . . . . 0.0 112.894 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.11 103.27 0.29 Allowed Glycine 0 C--N 1.361 1.94 0 CA-C-O 116.938 -2.035 . . . . 0.0 109.913 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -129.26 150.47 50.62 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 115.282 -2.294 . . . . 0.0 108.295 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.257 36.7 t -108.98 127.5 54.13 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.604 2.002 . . . . 0.0 107.285 171.167 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 95.3 mmm -124.12 124.97 43.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.15 -156.18 0.31 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.4 -4.05 63.6 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 115.385 -2.897 . . . . 0.0 113.896 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -106.4 161.82 14.24 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 122.571 3.186 . . . . 0.0 109.564 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.8 m -110.44 144.95 38.46 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.386 0.994 . . . . 0.0 109.87 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.85 110.2 12.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 117.159 -1.401 . . . . 0.0 107.265 -171.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -116.96 156.99 26.49 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.575 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.7 p -123.56 136.8 27.64 Favored Pre-proline 0 C--N 1.36 1.061 0 CA-C-O 115.055 -2.402 . . . . 0.0 108.025 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 94.7 Cg_endo -74.23 161.06 41.34 Favored 'Trans proline' 0 C--N 1.363 1.33 0 CA-C-N 122.118 1.792 . . . . 0.0 113.297 -171.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.358 0.945 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 171.553 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.174 -1.571 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.4 t -92.61 97.59 7.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.8 mt -87.05 141.87 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -136.54 129.66 45.92 Favored 'Isoleucine or valine' 0 C--N 1.36 1.029 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.521 ' HB3' ' HZ1' ' A' ' 32' ' ' LYS . 3.2 m-20 -98.61 78.07 2.34 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -171.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.28 143.0 37.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.552 -1.214 . . . . 0.0 109.397 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -60.36 86.67 0.01 OUTLIER 'General case' 0 C--N 1.358 0.971 0 CA-C-N 119.497 1.044 . . . . 0.0 108.937 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -81.42 157.13 25.06 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 120.645 1.566 . . . . 0.0 108.18 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -123.6 -47.86 1.95 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.433 1.083 . . . . 0.0 110.527 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -117.3 128.19 74.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 CA-C-O 123.39 1.567 . . . . 0.0 111.27 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -55.41 -31.84 62.18 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 117.215 -1.374 . . . . 0.0 108.469 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -61.67 -40.83 96.32 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.685 1.584 . . . . 0.0 111.429 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.46 -22.39 62.69 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.163 -176.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -84.61 -19.87 32.3 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.995 1.725 . . . . 0.0 113.38 166.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.19 -39.24 78.8 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 116.551 -1.69 . . . . 0.0 107.748 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.29 -60.45 6.86 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 123.053 2.661 . . . . 0.0 112.45 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.6 -29.13 52.46 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 125.106 2.859 . . . . 0.0 111.799 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.2 m -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.803 1.638 . . . . 0.0 111.034 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -35.86 81.53 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 118.93 -2.356 . . . . 0.0 108.436 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.87 -48.15 80.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.16 69.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.63 57.21 0.07 OUTLIER Glycine 0 C--N 1.354 1.537 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mmm -111.13 148.87 31.76 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.223 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -83.91 -31.7 25.52 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.571 -1.681 . . . . 0.0 109.403 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -127.55 153.81 45.93 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.286 1.403 . . . . 0.0 111.969 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 94.09 0.18 Allowed Glycine 0 C--N 1.363 2.051 0 CA-C-O 117.472 -1.738 . . . . 0.0 109.598 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 151.48 51.83 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 115.944 -1.979 . . . . 0.0 109.979 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 t -120.23 156.29 31.46 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 121.045 1.748 . . . . 0.0 110.264 173.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLY . 10.3 mmt -113.78 136.68 52.59 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 104.251 -2.499 . . . . 0.0 104.251 161.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -43.89 92.12 0.0 OUTLIER 'General case' 0 C--N 1.358 0.948 0 O-C-N 124.441 1.088 . . . . 0.0 110.553 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.74 -71.58 0.29 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -175.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.521 ' HZ1' ' HB3' ' A' ' 5' ' ' ASN . 67.9 mttm -131.58 150.32 52.19 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.074 -1.441 . . . . 0.0 111.233 -171.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.3 m -95.62 146.85 24.16 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 119.08 0.855 . . . . 0.0 111.69 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -132.47 106.99 8.19 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -114.03 155.23 26.3 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.579 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.9 p -126.87 137.7 31.09 Favored Pre-proline 0 C--N 1.361 1.107 0 CA-C-O 115.794 -2.051 . . . . 0.0 108.789 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.24 161.82 39.82 Favored 'Trans proline' 0 C--N 1.364 1.382 0 CA-C-N 121.787 1.674 . . . . 0.0 114.329 -166.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 tttp . . . . . 0 C--N 1.359 0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 173.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.993 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.13 87.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-N 119.673 1.736 . . . . 0.0 106.514 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.76 140.76 16.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 104.921 -2.251 . . . . 0.0 104.921 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -126.34 122.44 61.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 167.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -94.11 87.36 5.27 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.425 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.44 142.25 29.27 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 CA-C-N 119.657 1.117 . . . . 0.0 113.63 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 88.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.902 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 p -84.07 166.04 18.03 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 119.605 1.093 . . . . 0.0 109.671 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.611 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 5.7 ttpm? -125.83 -48.44 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.6 -1.19 . . . . 0.0 111.0 168.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -118.9 133.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-O 123.476 1.608 . . . . 0.0 112.833 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.5 p -57.22 -35.18 69.34 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 120.622 -1.298 . . . . 0.0 108.17 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -61.3 -41.04 96.31 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.274 1.397 . . . . 0.0 111.473 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.86 -24.94 63.51 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.07 -1.919 . . . . 0.0 111.961 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -84.64 -20.15 31.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.922 1.692 . . . . 0.0 113.474 168.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -67.11 -40.27 86.83 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.837 -1.554 . . . . 0.0 107.799 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.58 -62.76 3.21 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-N 122.487 2.403 . . . . 0.0 112.632 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.69 -31.23 49.78 Favored 'Trans proline' 0 C--N 1.358 1.075 0 CA-C-N 124.909 2.789 . . . . 0.0 112.101 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.94 -37.25 76.3 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.021 1.282 . . . . 0.0 109.273 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -69.08 -48.55 62.4 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.45 1.477 . . . . 0.0 108.514 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -44.22 -51.55 8.14 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 118.461 0.573 . . . . 0.0 110.4 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -51.53 62.01 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.727 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.85 60.74 0.07 OUTLIER Glycine 0 C--N 1.355 1.626 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -103.04 153.8 19.9 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -85.47 -34.92 21.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-O 116.025 -1.94 . . . . 0.0 107.558 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.406 ' CD2' ' OG1' ' A' ' 36' ' ' THR . 7.9 m-85 -127.31 155.87 42.86 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 120.259 1.391 . . . . 0.0 110.742 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.01 97.22 0.19 Allowed Glycine 0 C--N 1.36 1.907 0 CA-C-O 116.711 -2.161 . . . . 0.0 111.421 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -132.79 160.23 37.46 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 120.417 2.108 . . . . 0.0 111.135 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 8.6 t -118.48 152.58 35.67 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 169.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.2 mmt -113.03 139.13 48.93 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 165.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -45.26 93.25 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.79 1.177 . . . . 0.0 110.541 -170.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.15 -67.64 0.39 Allowed Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.091 -1.394 . . . . 0.0 110.222 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -133.83 153.06 52.0 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.787 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -99.46 139.18 35.49 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.699 1.136 . . . . 0.0 110.489 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -133.33 114.2 13.46 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.952 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -117.88 162.41 18.16 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.003 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.406 ' OG1' ' CD2' ' A' ' 25' ' ' PHE . 68.7 p -122.94 136.51 26.93 Favored Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.522 -2.18 . . . . 0.0 108.036 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.77 162.47 41.09 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.098 1.785 . . . . 0.0 111.623 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.809 ' HD3' ' OXT' ' A' ' 38' ' ' LYS . 8.9 tmtm? . . . . . 0 C--N 1.355 0.844 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 171.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.99 0 CA-C-O 117.373 -1.793 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.81 132.52 19.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 119.445 1.622 . . . . 0.0 108.594 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.02 143.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.1 pt -139.85 138.78 38.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 119.737 1.153 . . . . 0.0 109.204 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -102.15 74.05 1.41 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -126.57 141.05 47.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.527 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -62.68 98.85 0.13 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.5 p -85.03 163.73 18.67 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 120.701 1.591 . . . . 0.0 107.885 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HZ1' ' CA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -122.64 -50.27 1.98 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.322 1.013 . . . . 0.0 109.345 168.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.61 138.05 53.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.26 0 CA-C-O 123.691 1.71 . . . . 0.0 112.795 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -36.11 72.53 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.6 -1.313 . . . . 0.0 108.125 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.69 -40.44 92.2 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.922 1.237 . . . . 0.0 111.328 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.82 -23.51 62.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.116 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.51 -21.49 32.75 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.094 1.77 . . . . 0.0 112.968 167.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 tp -66.74 -36.52 82.66 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.457 -1.735 . . . . 0.0 107.842 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.23 -62.04 5.5 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-N 123.348 2.794 . . . . 0.0 112.99 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.75 -29.47 68.68 Favored 'Trans proline' 0 C--N 1.354 0.856 0 CA-C-N 125.361 2.95 . . . . 0.0 111.127 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.0 m -64.67 -43.03 94.9 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.158 1.345 . . . . 0.0 111.472 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.9 2.136 . . . . 0.0 109.647 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.37 -49.05 78.5 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.106 0.866 . . . . 0.0 109.072 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.93 79.29 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.116 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 55.24 0.09 OUTLIER Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.0 mmt -109.9 140.2 44.13 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.19 -40.78 51.48 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 177.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -113.81 153.45 29.1 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 120.672 1.578 . . . . 0.0 112.486 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.71 95.41 0.17 Allowed Glycine 0 C--N 1.361 1.957 0 CA-C-O 117.103 -1.943 . . . . 0.0 110.032 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -131.28 154.85 48.07 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.747 1.774 . . . . 0.0 110.501 -176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.68 149.33 39.98 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.37 130.56 56.84 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 167.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -35.86 93.44 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.546 1.153 . . . . 0.0 112.245 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.03 -69.24 0.4 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 118.349 -1.251 . . . . 0.0 110.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -123.45 155.04 38.21 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 116.489 -1.719 . . . . 0.0 109.352 -170.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -103.07 143.18 32.92 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.989 1.268 . . . . 0.0 111.427 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -134.7 112.97 11.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.824 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -118.03 162.19 18.58 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.722 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.9 p -129.66 134.12 25.84 Favored Pre-proline 0 C--N 1.361 1.106 0 CA-C-O 115.721 -2.085 . . . . 0.0 109.662 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.07 154.6 52.53 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.341 1.361 . . . . 0.0 111.524 -170.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 C--N 1.356 0.849 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 172.5 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.499 ' H3 ' ' HD3' ' A' ' 37' ' ' PRO . . . . . . . . 0 N--CA 1.47 0.949 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.9 t -112.79 88.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 mp -94.08 146.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.6 pt -135.14 140.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -99.48 76.47 2.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.74 142.47 40.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.74 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -60.28 91.42 0.02 OUTLIER 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.552 1.069 . . . . 0.0 109.201 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -80.87 160.08 24.85 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 120.96 1.709 . . . . 0.0 108.316 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.56 -53.7 1.78 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 pt -116.17 131.66 68.02 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.54 1.638 . . . . 0.0 112.03 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 t -56.87 -30.4 63.83 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 120.356 -1.465 . . . . 0.0 109.191 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -65.81 -40.44 91.87 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 120.196 1.362 . . . . 0.0 109.174 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.98 -22.38 64.11 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 121.875 2.125 . . . . 0.0 112.739 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.1 m -84.25 -18.17 37.37 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.54 1.973 . . . . 0.0 112.835 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.67 -40.72 92.71 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.315 -1.802 . . . . 0.0 107.437 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -52.65 -65.49 1.05 Allowed Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 122.895 2.589 . . . . 0.0 112.905 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.95 -30.29 83.29 Favored 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 125.161 2.879 . . . . 0.0 111.634 -174.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.8 m -63.38 -37.72 88.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.845 1.202 . . . . 0.0 110.608 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -39.94 56.79 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.657 2.026 . . . . 0.0 109.376 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.623 ' HZ1' ' HB2' ' A' ' 20' ' ' LYS . 10.4 mtmp? -57.54 -46.4 83.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.237 0.926 . . . . 0.0 108.888 -177.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.55 67.79 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.684 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.54 62.02 0.08 OUTLIER Glycine 0 C--N 1.356 1.678 0 CA-C-N 118.777 0.717 . . . . 0.0 111.575 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.75 150.26 28.58 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.822 -176.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -85.75 -26.91 25.56 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.547 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -128.25 152.0 48.61 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.138 1.79 . . . . 0.0 111.599 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.24 96.12 0.19 Allowed Glycine 0 C--N 1.359 1.83 0 CA-C-O 116.573 -2.237 . . . . 0.0 109.363 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -129.39 152.47 48.9 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 120.239 2.019 . . . . 0.0 109.596 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.0 t -115.61 149.08 38.85 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.044 1.747 . . . . 0.0 108.387 168.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 92.4 mmm -111.59 127.63 55.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 168.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -41.61 94.92 0.01 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.959 1.254 . . . . 0.0 111.083 -169.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 148.81 -69.84 0.33 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 159.81 35.53 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.216 -1.849 . . . . 0.0 109.708 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 33.2 m -99.26 142.66 30.46 Favored 'General case' 0 C--N 1.361 1.101 0 CA-C-N 119.9 1.227 . . . . 0.0 111.908 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -130.15 103.21 6.6 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -115.61 160.37 20.09 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.979 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -127.53 135.82 28.01 Favored Pre-proline 0 C--N 1.361 1.069 0 CA-C-O 116.122 -1.894 . . . . 0.0 108.667 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.499 ' HD3' ' H3 ' ' A' ' 1' ' ' GLY . 72.5 Cg_endo -71.53 167.92 25.03 Favored 'Trans proline' 0 C--N 1.365 1.4 0 CA-C-N 121.273 1.49 . . . . 0.0 112.09 -168.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.87 ' HD3' ' OXT' ' A' ' 38' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.52 102.34 7.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.6 mm -100.25 134.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 116.19 -1.862 . . . . 0.0 106.078 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.8 pt -136.76 140.94 42.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 120.943 1.701 . . . . 0.0 108.28 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -100.79 70.12 1.39 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -172.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -114.75 139.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.565 -1.207 . . . . 0.0 109.658 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.94 90.57 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.7 p -82.55 161.46 22.3 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.53 -40.03 2.5 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 124.896 1.372 . . . . 0.0 109.78 169.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -124.66 140.34 48.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 CA-C-O 124.213 1.958 . . . . 0.0 113.917 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -61.52 -31.87 71.88 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.4 -1.437 . . . . 0.0 108.557 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -65.03 -37.44 87.61 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 120.421 1.464 . . . . 0.0 111.082 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -71.88 -25.94 62.14 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 115.694 -2.098 . . . . 0.0 111.962 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.2 m -84.25 -17.92 38.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 121.52 1.964 . . . . 0.0 113.191 167.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.12 -40.95 86.93 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.035 -1.459 . . . . 0.0 108.053 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -62.4 4.3 Favored Pre-proline 0 C--N 1.356 0.85 0 CA-C-N 121.816 2.098 . . . . 0.0 112.59 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.36 -29.16 63.15 Favored 'Trans proline' 0 C--N 1.357 1.022 0 CA-C-N 124.712 2.719 . . . . 0.0 111.222 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.82 -37.25 83.74 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.174 1.352 . . . . 0.0 109.835 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -66.17 -45.09 82.11 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.479 1.945 . . . . 0.0 109.621 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -53.6 -45.2 69.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.167 0.894 . . . . 0.0 109.592 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.91 61.78 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.162 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.71 58.47 0.09 OUTLIER Glycine 0 C--N 1.355 1.634 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mmt -110.34 142.75 41.56 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.354 -173.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -75.61 -39.45 57.89 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.618 -1.658 . . . . 0.0 107.55 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -116.16 151.22 36.1 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 119.702 1.137 . . . . 0.0 111.61 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 97.33 0.24 Allowed Glycine 0 C--N 1.359 1.823 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -125.47 132.91 52.59 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 115.36 -2.257 . . . . 0.0 106.485 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 20.1 t -110.76 144.28 39.99 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 98.4 mmm -113.93 135.5 53.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -42.75 92.16 0.0 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.439 1.087 . . . . 0.0 111.656 -167.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.83 -67.23 0.41 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.992 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -125.13 156.66 37.99 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 116.471 -1.728 . . . . 0.0 110.215 -171.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 m -103.17 141.63 35.53 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.882 1.219 . . . . 0.0 111.441 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.45 102.94 5.5 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -172.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.9 m -111.02 168.83 9.19 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.219 -1.372 . . . . 0.0 108.908 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.7 p -138.15 141.05 30.72 Favored Pre-proline 0 C--N 1.36 1.025 0 CA-C-O 115.496 -2.193 . . . . 0.0 110.169 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.42 153.68 55.59 Favored 'Trans proline' 0 C--N 1.365 1.416 0 CA-C-N 121.815 1.684 . . . . 0.0 112.044 -170.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.892 ' HD2' ' OXT' ' A' ' 38' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 170.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 CA-C-O 117.565 -1.686 . . . . 0.0 108.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t -139.82 106.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mm -93.41 147.14 5.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -126.22 139.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -99.2 70.38 1.76 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.51 140.24 46.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.179 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -62.18 106.06 0.68 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.985 1.266 . . . . 0.0 108.443 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p -91.67 161.39 14.93 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 121.547 1.976 . . . . 0.0 108.166 175.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -121.97 -40.76 2.49 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.406 1.066 . . . . 0.0 111.182 163.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.21 133.38 69.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 124.499 2.095 . . . . 0.0 112.224 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.4 p -58.25 -34.68 70.74 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.453 -1.404 . . . . 0.0 107.613 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.58 HH21 ' CD ' ' A' ' 16' ' ' GLU . 1.8 ttp-105 -64.9 -35.55 81.5 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.839 1.2 . . . . 0.0 110.981 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.14 -25.7 61.82 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.564 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.3 m -85.22 -20.8 29.59 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.524 1.966 . . . . 0.0 112.86 168.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.02 -38.69 92.21 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.463 -1.256 . . . . 0.0 107.68 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.58 ' CD ' HH21 ' A' ' 12' ' ' ARG . 99.0 mt-10 -58.88 -61.48 7.69 Favored Pre-proline 0 C--N 1.354 0.763 0 CA-C-N 121.109 1.777 . . . . 0.0 113.192 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.13 -28.86 80.22 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 125.633 3.047 . . . . 0.0 111.146 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.24 -38.56 90.72 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.14 1.336 . . . . 0.0 110.925 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.63 76.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 122.617 2.462 . . . . 0.0 109.08 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.45 -47.87 83.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.8 95.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.527 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.68 56.82 0.19 Allowed Glycine 0 C--N 1.354 1.578 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.9 mmm -111.99 147.02 36.81 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.333 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -81.85 -33.45 30.64 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.611 -1.662 . . . . 0.0 110.122 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -122.16 153.04 39.29 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.268 1.395 . . . . 0.0 110.635 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.35 89.72 0.16 Allowed Glycine 0 C--N 1.359 1.818 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -127.63 152.6 47.47 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 116.11 -1.9 . . . . 0.0 108.361 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.5 t -113.5 147.77 37.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 120.497 1.499 . . . . 0.0 109.019 170.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.46 129.61 55.54 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 167.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.17 95.84 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 O-C-N 124.559 1.162 . . . . 0.0 111.11 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.3 -71.06 0.4 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -127.21 161.8 27.67 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.45 -1.738 . . . . 0.0 109.961 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.3 m -101.85 144.8 30.06 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 119.584 1.084 . . . . 0.0 112.169 -175.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -127.93 106.0 8.8 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.66 157.14 23.51 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.929 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -128.56 136.61 29.38 Favored Pre-proline 0 C--N 1.361 1.08 0 CA-C-O 115.518 -2.182 . . . . 0.0 109.054 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.44 156.66 50.01 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 121.979 1.743 . . . . 0.0 112.961 -169.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 C--N 1.357 0.933 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 171.841 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.963 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.3 t -136.2 93.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.1 mt -75.77 145.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.409 -1.281 . . . . 0.0 107.669 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 pt -138.1 127.06 32.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 CA-C-N 119.198 0.908 . . . . 0.0 108.868 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -96.56 81.23 3.19 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.0 t -126.34 141.2 46.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.471 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 104.2 0.56 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.69 167.31 12.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 122.289 2.313 . . . . 0.0 105.421 174.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -121.8 -42.74 2.39 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.866 1.979 . . . . 0.0 110.286 154.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 pt -123.81 147.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 CA-C-O 123.981 1.848 . . . . 0.0 114.201 -173.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -64.17 -32.94 74.71 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 116.861 -1.542 . . . . 0.0 109.257 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.6 -39.79 94.36 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 121.482 1.946 . . . . 0.0 110.871 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.4 -28.74 66.42 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.405 -1.76 . . . . 0.0 111.769 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.36 -20.93 33.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.503 1.501 . . . . 0.0 113.478 170.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.97 -38.83 86.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 116.779 -1.582 . . . . 0.0 108.328 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.96 -62.78 3.32 Favored Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 122.429 2.377 . . . . 0.0 111.899 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.77 -27.87 51.86 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 124.989 2.818 . . . . 0.0 112.879 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.12 -44.24 95.04 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.51 1.505 . . . . 0.0 108.456 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -67.89 -44.06 77.87 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.8 -1.187 . . . . 0.0 108.979 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -45.8 -52.96 10.37 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.213 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.13 16.94 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.28 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.58 50.67 0.01 OUTLIER Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.361 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -106.0 141.01 38.11 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.543 -174.056 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.05 -23.49 26.72 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 115.409 -2.234 . . . . 0.0 107.234 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -137.69 165.9 25.27 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-N 121.512 1.96 . . . . 0.0 111.593 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.7 129.6 2.96 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-O 117.247 -1.863 . . . . 0.0 109.716 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 115.771 -2.061 . . . . 0.0 107.539 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.268 46.6 t -109.31 141.06 42.17 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 167.395 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -112.91 127.46 56.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.351 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.3 94.08 0.01 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 124.658 1.224 . . . . 0.0 110.998 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.63 -72.4 0.32 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.23 166.34 16.67 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.325 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.9 m -115.39 156.26 25.88 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.975 0.797 . . . . 0.0 111.114 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -129.93 123.49 30.85 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.9 m -101.97 132.7 47.64 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 m -113.97 106.01 53.82 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 116.8 -1.571 . . . . 0.0 108.694 -170.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 158.49 56.7 Favored 'Trans proline' 0 C--N 1.365 1.409 0 CA-C-N 120.789 1.318 . . . . 0.0 110.336 -167.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? . . . . . 0 C--N 1.356 0.85 0 C-N-CA 117.894 -1.522 . . . . 0.0 107.028 176.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.925 0 CA-C-O 117.594 -1.67 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.1 t -143.24 138.34 26.51 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 119.214 1.507 . . . . 0.0 108.412 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.6 mm -114.27 146.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.0 pt -133.71 133.48 56.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 169.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -97.18 71.95 2.43 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.055 1.298 . . . . 0.0 108.301 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.1 141.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.497 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.615 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 3.3 mmmp? -67.19 92.86 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.9 p -83.35 166.2 18.65 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 120.637 1.562 . . . . 0.0 109.099 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -125.22 -54.55 1.59 Allowed 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.296 0.997 . . . . 0.0 108.795 167.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 pt -114.31 135.64 53.43 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 CA-C-O 123.614 1.673 . . . . 0.0 112.615 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 p -56.91 -35.9 69.56 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -61.46 -40.88 96.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.201 1.364 . . . . 0.0 111.486 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -70.61 -23.12 62.49 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.003 -1.951 . . . . 0.0 112.413 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.6 m -84.41 -21.71 30.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.101 1.773 . . . . 0.0 112.704 167.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.47 -35.95 80.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.305 -1.807 . . . . 0.0 107.497 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.02 -63.8 2.37 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-N 123.325 2.784 . . . . 0.0 112.881 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.19 -31.37 54.03 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.793 2.748 . . . . 0.0 112.117 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.55 -39.87 95.0 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.644 1.565 . . . . 0.0 110.885 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -51.35 68.43 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 120.905 -1.122 . . . . 0.0 108.34 177.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -55.34 -47.06 76.25 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.898 -0.572 . . . . 0.0 110.709 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.48 82.95 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.291 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.74 57.4 0.22 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.5 mmt -104.73 143.76 32.66 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.321 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -72.27 -36.34 68.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.33 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.63 157.41 45.83 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.995 1.27 . . . . 0.0 113.056 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.65 105.21 0.37 Allowed Glycine 0 C--N 1.362 2.0 0 CA-C-O 117.406 -1.774 . . . . 0.0 109.921 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -137.68 158.1 45.08 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 116.282 -1.818 . . . . 0.0 109.52 -175.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -116.13 148.08 40.68 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 120.654 1.57 . . . . 0.0 108.232 172.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -110.97 125.16 53.41 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 167.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.95 96.45 0.01 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.167 1.348 . . . . 0.0 111.461 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.35 -70.25 0.42 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 159.08 26.99 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 116.714 -1.612 . . . . 0.0 110.147 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.8 m -102.08 148.8 24.95 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.433 1.015 . . . . 0.0 111.625 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -131.68 115.3 15.85 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.138 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.3 m -119.79 163.18 17.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.52 1.509 . . . . 0.0 109.725 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -131.72 136.56 28.63 Favored Pre-proline 0 C--N 1.36 1.026 0 CA-C-O 115.629 -2.129 . . . . 0.0 109.139 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.94 157.24 43.13 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.579 1.6 . . . . 0.0 112.474 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.356 0.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 169.66 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.921 0 CA-C-O 118.437 -1.201 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -139.33 81.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.0 140.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 pt -124.78 106.64 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -91.31 77.5 5.86 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -169.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.57 149.7 25.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 CA-C-O 118.74 -0.648 . . . . 0.0 112.468 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.577 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 3.7 mmmp? -61.68 108.27 0.96 Allowed 'General case' 0 C--N 1.358 0.941 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.233 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -88.72 174.66 7.88 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.333 0.97 . . . . 0.0 109.625 173.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -121.68 -53.38 1.99 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 162.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -122.49 146.27 27.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.32 0 CA-C-O 124.575 2.131 . . . . 0.0 115.255 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -59.13 -41.23 87.76 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.675 -1.266 . . . . 0.0 108.768 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -60.47 -35.51 76.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.529 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -75.73 -19.87 58.74 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.758 -2.068 . . . . 0.0 111.794 -176.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.4 m -85.69 -19.19 31.25 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 121.457 1.935 . . . . 0.0 112.749 165.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.24 -37.71 84.0 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.357 -1.782 . . . . 0.0 107.736 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -61.24 8.06 Favored Pre-proline 0 C--N 1.355 0.844 0 CA-C-N 123.034 2.652 . . . . 0.0 112.359 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.6 -32.83 57.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 CA-C-N 125.769 3.096 . . . . 0.0 111.732 -175.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -62.61 -37.43 86.24 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.527 1.512 . . . . 0.0 109.972 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.29 -47.99 83.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 121.069 1.759 . . . . 0.0 108.711 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -58.61 -46.06 87.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.107 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.59 87.04 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.894 0.77 . . . . 0.0 110.138 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.21 53.9 0.16 Allowed Glycine 0 C--N 1.354 1.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.8 mmt -113.11 140.48 47.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -73.92 -39.79 63.57 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.865 -1.54 . . . . 0.0 107.088 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -114.88 153.45 30.46 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.718 1.144 . . . . 0.0 112.629 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.94 87.6 0.13 Allowed Glycine 0 C--N 1.366 2.199 0 CA-C-O 115.446 -2.863 . . . . 0.0 113.339 -175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.49 164.91 23.78 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 121.619 2.709 . . . . 0.0 111.256 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.358 170.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.9 mmt -125.19 162.93 23.56 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 171.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t30 48.88 -108.18 0.26 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.619 -1.658 . . . . 0.0 107.726 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.43 24.17 2.94 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.116 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 153.94 43.84 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.369 2.085 . . . . 0.0 107.745 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -103.41 140.24 37.73 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.44 1.018 . . . . 0.0 111.832 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -127.62 115.07 18.21 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.69 158.29 24.04 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 117.527 -1.225 . . . . 0.0 110.974 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 p -134.09 137.45 28.27 Favored Pre-proline 0 C--N 1.363 1.174 0 CA-C-O 115.71 -2.091 . . . . 0.0 110.415 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.65 155.0 63.86 Favored 'Trans proline' 0 C--N 1.369 1.647 0 CA-C-N 121.286 1.495 . . . . 0.0 113.093 -167.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.357 0.916 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.808 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.891 0 CA-C-O 117.28 -1.845 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.7 t -131.98 101.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 86.8 mt -78.95 144.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.6 pt -138.35 136.5 44.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -99.86 64.49 1.25 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.3 145.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.185 -0.912 . . . . 0.0 108.977 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -81.08 85.78 6.25 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.07 165.11 19.85 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 119.988 1.267 . . . . 0.0 108.879 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -121.24 -31.38 4.12 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.114 1.509 . . . . 0.0 112.304 157.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.22 140.45 49.05 Favored 'Isoleucine or valine' 0 C--N 1.371 1.521 0 CA-C-O 123.97 1.843 . . . . 0.0 113.726 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -34.42 76.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.53 -1.356 . . . . 0.0 108.278 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.3 -39.0 93.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.687 1.585 . . . . 0.0 111.516 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.74 -28.01 65.43 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.093 -1.908 . . . . 0.0 111.463 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.5 m -83.7 -18.62 37.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.783 1.629 . . . . 0.0 113.506 169.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 tp -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.088 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.53 -63.27 2.64 Favored Pre-proline 0 C--N 1.355 0.835 0 CA-C-N 122.055 2.207 . . . . 0.0 111.963 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.51 -30.3 52.32 Favored 'Trans proline' 0 C--N 1.359 1.093 0 CA-C-N 124.655 2.698 . . . . 0.0 112.262 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.59 -49.28 78.18 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.216 1.371 . . . . 0.0 108.828 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -63.39 -46.95 84.06 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 119.977 -1.702 . . . . 0.0 108.654 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -49.43 -46.0 47.11 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.118 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.42 -62.19 1.5 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.413 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.22 50.13 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.669 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 118.541 -0.743 . . . . 0.0 111.019 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -88.46 -27.15 21.69 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.957 -1.973 . . . . 0.0 108.591 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.75 163.16 32.04 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.311 1.869 . . . . 0.0 112.458 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 122.01 1.78 Allowed Glycine 0 C--N 1.357 1.713 0 CA-C-O 117.268 -1.851 . . . . 0.0 108.892 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -130.42 138.06 50.15 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 116.06 -1.924 . . . . 0.0 107.126 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.6 t -110.17 143.17 40.67 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 2.9 mmt -113.08 133.42 55.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 170.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -40.49 94.25 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.541 1.15 . . . . 0.0 111.276 -168.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 143.74 -70.33 0.4 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.1 161.24 27.22 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.644 -1.169 . . . . 0.0 111.267 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.9 m -109.73 155.91 20.96 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.965 -176.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -129.87 120.49 25.01 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 m -104.77 114.39 28.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 m -98.14 110.43 56.03 Favored Pre-proline 0 C--N 1.361 1.077 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.205 -169.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.66 156.17 64.34 Favored 'Trans proline' 0 C--N 1.366 1.486 0 CA-C-N 121.263 1.487 . . . . 0.0 112.831 -165.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--N 1.356 0.866 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 173.823 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.937 0 CA-C-O 117.143 -1.921 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.0 t -131.94 123.57 51.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 119.663 1.731 . . . . 0.0 106.809 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.67 143.85 13.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.0 pt -134.73 142.72 39.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.11 67.81 2.64 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -167.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.21 138.28 46.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.59 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -67.23 89.25 0.19 Allowed 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.25 11.7 p -83.0 154.01 24.69 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -116.64 -22.49 8.62 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.888 159.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -129.35 142.9 42.77 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 CA-C-O 124.104 1.907 . . . . 0.0 112.876 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -63.7 -33.81 76.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 120.198 -1.564 . . . . 0.0 108.415 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 111.192 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.35 -22.87 61.09 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.923 1.692 . . . . 0.0 111.554 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.2 m -77.53 -30.92 53.07 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.695 1.589 . . . . 0.0 112.198 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.09 -41.62 90.43 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 116.92 -1.514 . . . . 0.0 110.199 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.04 -62.43 2.84 Favored Pre-proline 0 C--N 1.357 0.911 0 CA-C-N 122.161 2.255 . . . . 0.0 111.736 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.15 -26.28 50.01 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 124.594 2.676 . . . . 0.0 111.852 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.57 -45.98 87.88 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.83 1.65 . . . . 0.0 108.14 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -61.6 -49.57 76.09 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.275 -1.516 . . . . 0.0 109.571 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -48.33 -48.9 35.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.897 -174.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.53 -56.18 18.07 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.609 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.11 57.84 0.02 OUTLIER Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.2 mmt -117.65 146.02 43.97 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.304 -172.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -78.96 -36.71 41.06 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.665 -2.112 . . . . 0.0 107.816 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.07 160.1 32.18 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.039 1.745 . . . . 0.0 113.194 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.97 110.04 0.88 Allowed Glycine 0 C--N 1.358 1.804 0 N-CA-C 106.826 -2.509 . . . . 0.0 106.826 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -124.83 133.32 53.15 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 115.405 -2.236 . . . . 0.0 105.002 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -115.61 149.68 37.89 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 121.551 1.978 . . . . 0.0 106.155 170.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.5 mmm -114.28 138.1 50.93 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 103.529 -2.767 . . . . 0.0 103.529 169.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -46.79 94.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.205 1.366 . . . . 0.0 109.855 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.65 -69.56 0.39 Allowed Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.28 -176.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 20.2 mtpp -118.34 152.98 34.77 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.098 -1.906 . . . . 0.0 110.195 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -90.98 147.27 23.21 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -126.72 108.66 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.5 m -101.83 140.37 36.22 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.138 -1.411 . . . . 0.0 107.259 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 m -116.24 108.69 45.4 Favored Pre-proline 0 C--N 1.357 0.933 0 CA-C-O 116.089 -1.91 . . . . 0.0 109.348 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.09 162.97 33.66 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.845 1.697 . . . . 0.0 112.976 -166.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.3 tptt . . . . . 0 C--N 1.357 0.928 0 C-N-CA 118.575 -1.25 . . . . 0.0 110.669 176.323 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.905 0 CA-C-O 117.343 -1.809 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.7 t -130.16 104.62 10.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.97 146.7 6.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.61 139.97 49.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -102.54 68.81 1.07 Allowed 'General case' 0 C--N 1.358 0.965 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.89 141.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.124 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.55 89.03 0.95 Allowed 'General case' 0 C--N 1.36 1.051 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.288 0.5 OUTLIER -80.32 167.93 19.65 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 178.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -125.07 -32.66 2.98 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 126.413 2.321 . . . . 0.0 112.485 156.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.29 151.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-O 124.201 1.953 . . . . 0.0 114.722 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -68.24 -32.85 73.33 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.012 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.62 -41.33 98.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 121.462 1.937 . . . . 0.0 110.018 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.52 -29.09 66.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.093 -1.908 . . . . 0.0 112.111 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.37 -20.1 34.86 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.96 1.709 . . . . 0.0 113.227 169.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.44 -38.5 90.04 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.166 -1.397 . . . . 0.0 108.265 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -62.32 3.61 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-N 121.657 2.026 . . . . 0.0 111.979 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.19 -27.69 41.21 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-N 124.739 2.728 . . . . 0.0 111.781 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.2 -53.24 59.35 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.784 1.629 . . . . 0.0 108.581 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -63.91 -38.4 90.94 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.203 -1.561 . . . . 0.0 109.924 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.13 -51.83 67.75 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.192 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.89 78.47 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.705 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.08 53.89 0.05 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 mmt -114.24 143.2 45.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -171.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -83.19 -28.87 29.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.539 -2.172 . . . . 0.0 107.24 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.16 161.42 29.31 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.519 1.509 . . . . 0.0 112.569 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 113.1 1.25 Allowed Glycine 0 C--N 1.36 1.892 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.36 124.31 33.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.867 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 38.2 t -110.72 140.61 44.95 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-N 121.496 1.953 . . . . 0.0 107.68 171.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.3 mtt -114.17 135.42 54.06 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 167.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.93 96.31 0.01 OUTLIER 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.204 0.94 . . . . 0.0 110.268 -171.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.2 -71.33 0.36 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.21 172.43 10.06 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 117.091 -1.433 . . . . 0.0 109.463 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -121.95 155.66 35.04 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 119.099 0.863 . . . . 0.0 111.506 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -130.28 116.39 18.29 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -104.16 126.8 51.56 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -101.29 122.26 48.88 Favored Pre-proline 0 C--N 1.357 0.935 0 CA-C-O 115.472 -2.204 . . . . 0.0 108.718 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.06 155.98 56.41 Favored 'Trans proline' 0 C--N 1.364 1.368 0 CA-C-N 121.989 1.746 . . . . 0.0 112.794 -168.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' OXT' ' HG2' ' A' ' 38' ' ' LYS . 6.6 ttpm? . . . . . 0 C--N 1.358 0.956 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 68.8 t -134.18 108.64 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.0 pt -133.91 143.47 38.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 173.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -101.26 72.8 1.46 Allowed 'General case' 0 C--N 1.357 0.92 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -172.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.02 138.6 53.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.315 -1.326 . . . . 0.0 109.146 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -66.46 100.39 0.65 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-O 116.776 -1.583 . . . . 0.0 107.548 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 p -84.61 161.24 20.21 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 171.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -116.46 -40.55 3.21 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.92 1.388 . . . . 0.0 108.893 160.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 pt -122.09 142.56 37.95 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 CA-C-O 124.421 2.058 . . . . 0.0 114.151 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -62.08 -32.86 73.45 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 117.15 -1.405 . . . . 0.0 108.863 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 24.3 tpt180 -63.04 -38.57 91.72 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.91 1.686 . . . . 0.0 111.057 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.31 -27.97 64.8 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 116.002 -1.952 . . . . 0.0 111.552 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -82.64 -20.19 36.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.975 1.716 . . . . 0.0 113.205 168.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.62 -39.85 84.68 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.129 -1.415 . . . . 0.0 108.761 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 2.8 mp0 -53.62 -61.09 5.63 Favored Pre-proline 0 C--N 1.357 0.895 0 CA-C-N 121.769 2.077 . . . . 0.0 111.839 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.33 -24.34 43.52 Favored 'Trans proline' 0 C--N 1.357 0.977 0 CA-C-N 125.088 2.853 . . . . 0.0 112.075 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.37 -42.05 90.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.056 1.753 . . . . 0.0 107.134 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.031 -1.668 . . . . 0.0 110.365 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -55.58 -37.62 68.31 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.831 1.196 . . . . 0.0 111.06 -171.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -56.02 9.26 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.066 0.848 . . . . 0.0 109.469 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.56 52.77 0.02 OUTLIER Glycine 0 C--N 1.354 1.555 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.42 133.52 54.45 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -82.55 -22.47 34.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.424 -2.226 . . . . 0.0 107.149 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -136.76 168.18 20.01 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 121.094 1.77 . . . . 0.0 111.411 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.92 128.02 2.76 Favored Glycine 0 C--N 1.358 1.762 0 CA-C-O 117.548 -1.696 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.65 125.19 29.8 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.601 -2.142 . . . . 0.0 106.354 -178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.3 t -109.07 140.41 42.66 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 169.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.2 mtm -114.99 124.49 51.8 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -33.51 89.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.184 1.552 . . . . 0.0 112.399 -168.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.37 -72.32 0.29 Allowed Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HZ2' ' HB3' ' A' ' 32' ' ' LYS . 6.3 mtpm? -124.26 165.01 18.38 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.731 -1.604 . . . . 0.0 108.991 -173.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m -113.89 153.83 28.55 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -126.4 111.23 14.23 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -98.99 127.35 44.89 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 m -110.21 110.46 58.4 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 116.237 -1.84 . . . . 0.0 109.736 -166.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 153.72 72.94 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.338 1.359 . . . . 0.0 110.369 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--N 1.356 0.889 0 C-N-CA 117.226 -1.789 . . . . 0.0 108.721 175.156 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.964 0 CA-C-O 117.254 -1.859 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.56 116.2 24.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.96 141.99 13.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.9 pt -127.82 130.94 70.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -95.34 75.57 3.37 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -174.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.62 141.93 37.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.124 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -73.15 93.68 1.86 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 p -83.78 164.11 19.76 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 119.479 1.036 . . . . 0.0 109.899 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -126.06 -48.22 1.61 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.565 167.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -117.56 130.12 72.95 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-O 123.225 1.488 . . . . 0.0 111.803 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -53.59 -34.72 59.42 Favored 'General case' 0 CA--C 1.504 -0.795 0 O-C-N 120.436 -1.415 . . . . 0.0 108.578 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -60.68 -42.17 96.57 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.949 1.249 . . . . 0.0 111.69 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.67 -21.63 63.51 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.108 -1.901 . . . . 0.0 111.727 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.26 -21.59 31.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.835 1.652 . . . . 0.0 113.391 167.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.2 -44.55 88.0 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.308 1.413 . . . . 0.0 107.342 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.43 -62.05 3.12 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.154 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.62 -28.61 60.89 Favored 'Trans proline' 0 C--N 1.357 1.019 0 CA-C-N 124.91 2.789 . . . . 0.0 112.061 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -58.23 -48.52 80.11 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.561 1.528 . . . . 0.0 108.127 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.52 -45.84 91.13 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.354 . . . . 0.0 109.698 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -48.17 -46.85 35.13 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.886 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -63.7 1.0 Allowed 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.338 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' C ' ' SD ' ' A' ' 23' ' ' MET . . . 169.41 45.44 0.03 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.804 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -113.76 149.98 34.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.293 -172.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -97.48 -19.61 18.29 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 115.649 -2.12 . . . . 0.0 110.32 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.91 172.95 12.26 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.945 2.157 . . . . 0.0 111.514 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.84 132.82 2.21 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.52 -1.711 . . . . 0.0 111.431 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -129.9 150.18 51.3 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 115.392 -2.242 . . . . 0.0 110.0 -175.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.9 t -116.16 134.52 54.84 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 121.914 2.143 . . . . 0.0 108.98 170.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.401 ' N ' ' SD ' ' A' ' 29' ' ' MET . 4.0 mpp? -130.12 159.81 35.67 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 117.596 -1.193 . . . . 0.0 108.357 175.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.7 t30 46.57 -100.77 0.06 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.907 -1.521 . . . . 0.0 109.18 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.73 17.93 3.02 Favored Glycine 0 C--N 1.357 1.706 0 CA-C-O 115.526 -2.819 . . . . 0.0 113.868 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -127.52 154.13 45.51 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 122.055 2.928 . . . . 0.0 109.025 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m -103.61 155.14 18.77 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.672 1.232 . . . . 0.0 109.585 -173.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -128.27 112.23 14.24 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.0 m -98.32 128.24 44.65 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 m -115.55 109.34 45.97 Favored Pre-proline 0 C--N 1.355 0.811 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.243 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 162.66 39.35 Favored 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 120.333 1.155 . . . . 0.0 110.731 -165.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 177.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.915 0 CA-C-O 117.062 -1.965 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.4 t -132.07 129.72 60.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-N 119.669 1.735 . . . . 0.0 107.759 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.63 136.92 56.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.18 109.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -91.18 84.25 5.65 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -173.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.57 145.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.15 97.66 1.23 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.181 1.355 . . . . 0.0 107.44 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.73 169.54 14.16 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 119.881 1.219 . . . . 0.0 109.325 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -123.94 -49.86 1.84 Allowed 'General case' 0 C--N 1.357 0.922 0 O-C-N 124.384 1.053 . . . . 0.0 110.659 165.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -118.34 131.35 71.37 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 123.081 1.419 . . . . 0.0 112.181 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -57.55 -29.93 64.81 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.221 -1.549 . . . . 0.0 108.305 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -45.32 95.13 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.66 1.573 . . . . 0.0 110.334 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.79 -20.66 65.22 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.138 -1.887 . . . . 0.0 112.17 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.5 m -87.1 -14.11 42.29 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.814 1.643 . . . . 0.0 113.831 167.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.38 -54.36 25.29 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 174.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -42.96 -60.56 2.26 Favored Pre-proline 0 C--N 1.355 0.816 0 CA-C-N 120.941 1.701 . . . . 0.0 113.303 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.84 -33.53 33.44 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 125.375 2.955 . . . . 0.0 111.61 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.097 1.317 . . . . 0.0 110.625 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -35.9 57.76 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 121.716 2.053 . . . . 0.0 109.259 177.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -52.49 -45.56 66.22 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 120.526 1.512 . . . . 0.0 108.606 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.09 25.25 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.256 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.22 60.96 0.07 OUTLIER Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -101.87 152.77 20.51 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ttp-105 -86.43 -35.29 19.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 115.496 -2.193 . . . . 0.0 107.073 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -126.2 157.42 38.25 Favored 'General case' 0 C--N 1.37 1.458 0 CA-C-N 120.69 1.587 . . . . 0.0 111.373 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.85 112.08 0.76 Allowed Glycine 0 C--N 1.361 1.937 0 CA-C-O 116.43 -2.317 . . . . 0.0 111.043 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -133.36 148.07 51.83 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 120.867 2.334 . . . . 0.0 110.151 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -117.48 147.08 43.06 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 162.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' GLY . 83.0 mtp -114.91 128.0 56.03 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 167.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -36.96 91.88 0.0 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.972 1.42 . . . . 0.0 111.055 -168.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 150.62 -74.63 0.26 Allowed Glycine 0 C--N 1.353 1.512 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.032 1.416 . . . . 0.0 110.862 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.6 m -98.98 138.01 36.7 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.909 0.756 . . . . 0.0 111.155 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -135.64 118.49 16.21 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-O 117.637 -1.173 . . . . 0.0 108.599 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.6 m -119.98 162.54 19.04 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.265 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -115.56 134.2 22.67 Favored Pre-proline 0 C--N 1.361 1.074 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.928 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.74 162.81 40.21 Favored 'Trans proline' 0 C--N 1.362 1.267 0 CA-C-N 121.857 1.699 . . . . 0.0 110.776 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? . . . . . 0 CA--C 1.505 -0.763 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 170.235 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.973 0 CA-C-O 117.906 -1.497 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.86 86.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.823 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mp -92.52 149.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.33 135.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -99.72 70.65 1.66 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.949 0.795 . . . . 0.0 108.864 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -114.96 145.52 20.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.928 -1.035 . . . . 0.0 108.585 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.44 94.48 0.74 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 p -82.28 165.62 20.24 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 120.099 1.318 . . . . 0.0 109.248 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 9' ' ' LYS . 4.2 ttmp? -123.71 -51.3 1.82 Allowed 'General case' 0 C--N 1.357 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 110.122 169.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.57 132.26 69.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 CA-C-O 123.366 1.555 . . . . 0.0 112.71 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -54.9 -33.94 62.57 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.981 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.2 -39.88 95.9 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.709 1.595 . . . . 0.0 111.523 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.47 -24.34 62.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.147 -1.883 . . . . 0.0 111.98 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.62 -17.31 36.54 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.832 1.651 . . . . 0.0 113.384 168.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.76 -41.31 75.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.933 -1.508 . . . . 0.0 108.05 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -54.77 -59.69 9.9 Favored Pre-proline 0 C--N 1.355 0.817 0 CA-C-N 121.999 2.181 . . . . 0.0 112.448 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.89 -33.35 52.81 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 125.09 2.854 . . . . 0.0 111.763 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.07 -35.82 74.01 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.943 1.247 . . . . 0.0 109.308 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -69.61 -44.11 71.38 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.429 1.468 . . . . 0.0 110.539 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -51.59 -44.93 62.98 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.699 1.59 . . . . 0.0 109.501 -172.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.23 36.62 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.472 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.81 61.23 0.06 OUTLIER Glycine 0 C--N 1.356 1.655 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -102.49 150.56 23.26 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 118.884 -0.579 . . . . 0.0 110.996 -176.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -75.07 -38.9 61.16 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 116.562 -1.685 . . . . 0.0 107.502 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -135.83 153.43 51.5 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.126 1.33 . . . . 0.0 113.195 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 106.97 0.67 Allowed Glycine 0 C--N 1.36 1.91 0 CA-C-O 116.884 -2.064 . . . . 0.0 108.247 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.69 131.32 43.0 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 114.68 -2.581 . . . . 0.0 107.714 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -110.09 142.29 41.75 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 122.522 2.419 . . . . 0.0 106.997 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 94.4 mtp -113.78 134.57 54.69 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 171.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -40.5 94.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.76 1.288 . . . . 0.0 111.036 -169.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.27 -70.51 0.34 Allowed Glycine 0 C--N 1.355 1.608 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -129.09 156.71 43.44 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.324 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 39.6 m -98.04 135.53 39.6 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.431 1.014 . . . . 0.0 110.018 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -126.48 108.28 11.03 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -114.07 163.12 15.6 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.402 -1.285 . . . . 0.0 109.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -127.73 135.77 27.97 Favored Pre-proline 0 C--N 1.361 1.087 0 CA-C-O 115.548 -2.168 . . . . 0.0 108.06 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.83 162.84 40.75 Favored 'Trans proline' 0 C--N 1.365 1.421 0 CA-C-N 121.032 1.404 . . . . 0.0 110.648 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 174.284 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.91 0 CA-C-O 117.092 -1.949 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.7 t -134.47 140.02 46.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.687 1.744 . . . . 0.0 107.817 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mm -108.07 145.89 14.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.1 pt -139.27 119.89 14.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 173.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -92.88 78.87 4.69 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -172.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.69 138.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.702 -176.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 103.57 0.46 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 p -90.3 160.91 15.9 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 121.183 1.811 . . . . 0.0 107.197 175.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -122.56 -31.39 3.76 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.151 159.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -126.74 136.46 60.75 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.801 1.762 . . . . 0.0 113.159 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.1 p -60.32 -30.93 69.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.358 -1.464 . . . . 0.0 108.429 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.75 1.614 . . . . 0.0 111.432 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.88 -27.52 65.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 116.368 -1.777 . . . . 0.0 111.367 -175.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -83.72 -21.55 32.28 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.471 1.487 . . . . 0.0 113.344 170.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.48 -35.84 82.1 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.255 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 -64.19 2.13 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-N 122.262 2.301 . . . . 0.0 111.967 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.98 -27.35 58.14 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 124.819 2.757 . . . . 0.0 112.14 -176.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.8 m -59.62 -43.62 93.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.364 1.438 . . . . 0.0 107.92 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.98 -48.01 82.25 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.955 -1.716 . . . . 0.0 108.894 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -52.23 -47.53 65.63 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.593 -176.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.99 62.89 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.128 -179.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 53.76 0.03 OUTLIER Glycine 0 C--N 1.353 1.492 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.65 137.64 50.62 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.541 -0.743 . . . . 0.0 110.524 -168.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -26.89 51.11 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 116.306 -1.807 . . . . 0.0 108.175 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -140.17 165.49 27.24 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-N 120.685 1.584 . . . . 0.0 112.837 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.99 2.85 Favored Glycine 0 C--N 1.358 1.798 0 CA-C-O 117.258 -1.857 . . . . 0.0 108.513 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 2.6 mmmp? -131.74 129.53 40.74 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 115.488 -2.196 . . . . 0.0 107.482 -176.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.2 t -112.35 144.0 42.51 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 121.507 1.958 . . . . 0.0 107.104 169.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ASN . 14.8 mmt -113.87 119.01 35.83 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 170.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' MET . 7.2 t30 -29.01 90.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 125.289 1.618 . . . . 0.0 111.738 -173.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.27 -75.26 0.27 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.37 158.14 31.76 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 118.79 1.295 . . . . 0.0 109.826 -175.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.6 m -104.02 153.47 20.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 124.296 0.998 . . . . 0.0 111.253 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -130.22 121.74 26.77 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 -178.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.5 m -103.41 138.14 40.56 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.3 m -112.89 106.75 55.05 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.096 -169.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -70.55 150.18 63.03 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.519 1.479 . . . . 0.0 111.444 -169.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.357 0.932 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.506 176.928 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.883 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -137.15 96.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.904 0 CA-C-N 119.613 1.707 . . . . 0.0 107.043 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.11 144.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.2 pt -130.07 143.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -97.87 76.65 2.45 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -127.86 120.15 53.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.947 -174.035 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -44.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.647 170.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.1 p -84.61 165.08 18.26 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 120.367 1.439 . . . . 0.0 108.505 -179.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -120.81 -48.99 2.24 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.66 1.225 . . . . 0.0 109.397 167.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -122.24 139.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.366 1.317 0 CA-C-O 123.716 1.722 . . . . 0.0 113.091 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -62.09 -28.58 69.72 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.64 -177.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -39.3 90.78 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.282 1.855 . . . . 0.0 110.974 176.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.23 -26.33 63.8 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 115.721 -2.085 . . . . 0.0 111.644 -175.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -84.11 -21.56 31.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.174 1.807 . . . . 0.0 113.257 168.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.902 1.228 . . . . 0.0 107.733 175.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.16 -62.97 4.2 Favored Pre-proline 0 C--N 1.354 0.8 0 CA-C-O 116.328 -1.796 . . . . 0.0 112.451 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.35 -27.52 47.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 CA-C-N 125.073 2.848 . . . . 0.0 112.413 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.1 m -56.98 -43.77 82.0 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.552 1.524 . . . . 0.0 107.721 176.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -63.91 -50.28 69.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.842 -1.161 . . . . 0.0 108.602 178.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -44.85 -50.26 10.41 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.209 -175.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -56.29 14.09 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.546 -177.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.25 54.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.485 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.984 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.68 148.0 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.219 -174.244 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -92.63 -17.45 24.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 115.895 -2.002 . . . . 0.0 109.631 175.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.44 162.42 34.5 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 121.571 1.987 . . . . 0.0 113.204 172.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.03 119.49 1.54 Allowed Glycine 0 C--N 1.36 1.864 0 CA-C-O 117.319 -1.823 . . . . 0.0 109.182 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -133.51 126.69 31.62 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.326 -2.273 . . . . 0.0 107.809 -175.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 26.0 t -110.76 140.57 45.05 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 121.758 2.072 . . . . 0.0 106.851 172.068 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 31' ' ' GLY . 26.2 mmt -111.79 131.58 55.24 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.329 -2.471 . . . . 0.0 104.329 171.49 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -37.32 92.36 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.145 1.528 . . . . 0.0 111.534 -170.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.97 -71.65 0.33 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -178.458 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -123.72 158.18 32.23 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 116.841 -1.552 . . . . 0.0 109.141 -171.517 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 13.6 m -105.0 149.34 25.85 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.425 1.011 . . . . 0.0 110.286 -177.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -122.85 116.98 24.57 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.49 130.5 46.58 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 177.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.4 m -109.79 104.58 55.76 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.446 -1.74 . . . . 0.0 108.083 -169.398 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.03 158.57 56.16 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 120.621 1.257 . . . . 0.0 111.176 -167.14 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.355 0.836 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.93 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 CA-C-O 117.452 -1.749 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -134.27 128.29 51.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-O 116.434 -1.746 . . . . 0.0 106.703 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.9 142.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.66 136.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 172.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -93.56 72.33 4.34 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -168.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -112.37 134.09 56.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.779 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -63.27 86.86 0.03 OUTLIER 'General case' 0 C--N 1.358 0.944 0 CA-C-N 119.658 1.117 . . . . 0.0 108.354 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -81.3 158.23 24.83 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.633 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 5.8 ttpm? -115.85 -42.04 3.14 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.523 1.139 . . . . 0.0 110.621 165.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -121.44 138.36 52.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 CA-C-O 123.52 1.629 . . . . 0.0 112.322 -176.25 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -32.96 67.35 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.511 -1.368 . . . . 0.0 109.374 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.14 90.0 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.437 1.017 . . . . 0.0 111.279 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.36 -22.04 61.21 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.9 m -79.06 -24.13 43.77 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.895 1.68 . . . . 0.0 112.362 166.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.12 -51.4 64.13 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 2.5 mp0 -45.6 -62.2 1.91 Allowed Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 121.656 2.025 . . . . 0.0 113.192 -175.015 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.19 -30.6 82.13 Favored 'Trans proline' 0 C--N 1.355 0.894 0 CA-C-N 125.121 2.865 . . . . 0.0 111.316 -178.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.7 -43.96 93.87 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.503 1.501 . . . . 0.0 110.449 177.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -37.47 68.65 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.671 1.578 . . . . 0.0 110.299 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HB3' ' HZ2' ' A' ' 20' ' ' LYS . 8.5 mtpm? -57.41 -46.42 83.53 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.201 0.909 . . . . 0.0 108.701 -177.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.79 24.57 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.892 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.57 55.92 0.02 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-N 118.328 0.513 . . . . 0.0 112.041 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.39 152.08 24.66 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.975 -0.536 . . . . 0.0 112.077 -174.043 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.479 HH21 ' HE3' ' A' ' 38' ' ' LYS . 44.2 ttm180 -84.29 -32.73 24.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.319 -1.801 . . . . 0.0 108.712 173.543 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -139.42 168.73 19.17 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-N 121.047 1.749 . . . . 0.0 112.493 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.41 126.64 2.97 Favored Glycine 0 C--N 1.359 1.806 0 CA-C-O 117.714 -1.603 . . . . 0.0 109.819 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tppp? -129.51 131.78 46.71 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 115.111 -2.376 . . . . 0.0 105.275 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 7.6 t -114.85 147.4 39.93 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 122.611 2.459 . . . . 0.0 106.014 169.332 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' GLY . 50.0 mtm -117.84 137.09 53.0 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 170.137 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -44.36 92.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.771 1.295 . . . . 0.0 109.921 -168.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 152.76 -74.12 0.25 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 -173.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 57.2 mtmt -126.72 153.07 45.97 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.177 1.489 . . . . 0.0 111.668 -171.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.55 149.86 24.08 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -125.6 113.05 16.89 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 173.343 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -99.38 133.91 43.01 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -112.64 101.38 52.65 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 116.466 -1.73 . . . . 0.0 107.385 -170.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.61 159.2 54.56 Favored 'Trans proline' 0 C--N 1.364 1.361 0 CA-C-N 121.005 1.395 . . . . 0.0 111.55 -166.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HE3' HH21 ' A' ' 24' ' ' ARG . 87.8 tttt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.997 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -134.9 108.65 10.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 119.631 1.715 . . . . 0.0 107.252 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.13 143.04 13.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.5 pt -131.25 130.15 63.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 169.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -94.25 78.45 3.97 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -170.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.4 t -126.58 132.19 70.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.302 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HZ1' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -59.22 97.28 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.939 178.515 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.9 p -88.53 169.17 11.97 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 121.291 1.86 . . . . 0.0 108.432 179.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.63 -53.73 1.77 Allowed 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.732 1.27 . . . . 0.0 107.751 164.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -117.87 144.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-O 124.335 2.017 . . . . 0.0 114.813 -177.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -59.19 -35.23 73.22 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.586 -177.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -64.19 -39.58 94.28 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.331 1.423 . . . . 0.0 111.266 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.27 -26.76 65.82 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 121.199 1.818 . . . . 0.0 111.175 -174.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -85.14 -17.79 36.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.345 1.43 . . . . 0.0 113.679 168.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.3 -46.03 78.33 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.012 178.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.31 -60.81 4.58 Favored Pre-proline 0 C--N 1.356 0.853 0 CA-C-N 121.322 1.874 . . . . 0.0 111.94 -179.238 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.1 -26.62 57.67 Favored 'Trans proline' 0 C--N 1.357 1.003 0 CA-C-N 124.843 2.765 . . . . 0.0 112.105 -177.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -60.7 -40.93 94.05 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.965 1.712 . . . . 0.0 108.613 174.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.18 -44.73 78.93 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.967 -1.708 . . . . 0.0 108.69 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -47.59 -51.08 22.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.795 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.66 64.92 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.843 -176.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.22 58.32 0.05 OUTLIER Glycine 0 C--N 1.352 1.456 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 mmt -118.06 137.67 52.75 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.433 -172.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.81 -30.75 59.13 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 115.762 -2.065 . . . . 0.0 108.153 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -131.69 165.32 23.98 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.528 1.967 . . . . 0.0 112.996 -177.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.25 122.92 2.29 Favored Glycine 0 C--N 1.359 1.824 0 CA-C-O 117.389 -1.784 . . . . 0.0 109.55 -177.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -132.31 132.33 42.86 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.043 -178.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.0 t -111.59 141.31 45.34 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 166.02 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -112.43 126.3 55.15 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 170.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -34.63 90.74 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 O-C-N 125.176 1.548 . . . . 0.0 111.907 -170.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.48 -72.38 0.31 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -178.031 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.88 161.52 22.64 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.219 -175.342 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.8 m -107.77 152.84 23.82 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.332 1.02 . . . . 0.0 110.644 -177.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -131.94 117.96 19.14 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.1 138.96 38.36 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.087 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -112.02 103.32 55.18 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 116.701 -1.619 . . . . 0.0 109.307 -168.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.16 162.06 31.84 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.467 1.445 . . . . 0.0 114.191 -164.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 C--N 1.356 0.88 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.867 169.121 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.3 t -135.67 138.9 47.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-N 119.566 1.683 . . . . 0.0 106.948 175.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.3 143.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-O 116.608 -1.663 . . . . 0.0 106.736 -176.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -137.3 138.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 120.306 1.412 . . . . 0.0 107.531 172.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.47 62.24 0.93 Allowed 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.038 0.835 . . . . 0.0 109.05 -171.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.45 140.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 117.803 -1.094 . . . . 0.0 109.839 -176.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -72.13 95.78 1.69 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.48 165.09 17.43 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 118.971 0.805 . . . . 0.0 109.968 -176.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -119.5 -49.4 2.36 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.485 1.116 . . . . 0.0 108.894 164.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 pt -122.03 138.61 51.7 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 CA-C-O 123.786 1.755 . . . . 0.0 113.574 -179.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -55.54 -36.11 66.42 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.757 -1.214 . . . . 0.0 108.273 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -61.06 -40.37 93.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.98 1.264 . . . . 0.0 111.939 178.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -70.06 -25.7 63.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 121.023 1.738 . . . . 0.0 111.266 -175.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.95 -22.37 33.79 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.432 1.469 . . . . 0.0 113.049 169.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.38 -39.05 88.84 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.537 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.03 -63.29 2.47 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-N 122.163 2.256 . . . . 0.0 112.078 178.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.53 -26.27 40.38 Favored 'Trans proline' 0 C--N 1.356 0.961 0 CA-C-N 124.82 2.757 . . . . 0.0 112.767 -176.004 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -58.15 -42.16 85.32 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.111 1.778 . . . . 0.0 106.907 173.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -63.17 -55.62 23.6 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.089 -1.632 . . . . 0.0 107.706 -178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -51.84 -38.12 54.64 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.09 0.859 . . . . 0.0 111.676 -171.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.13 -57.95 7.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.97 52.2 0.01 OUTLIER Glycine 0 C--N 1.352 1.453 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.142 176.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mmt -117.38 137.0 52.76 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.705 -171.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -74.99 -32.21 61.6 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 115.885 -2.007 . . . . 0.0 107.749 176.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -135.31 170.0 16.61 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-N 121.371 1.896 . . . . 0.0 112.911 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.36 130.43 2.33 Favored Glycine 0 C--N 1.358 1.799 0 CA-C-O 117.368 -1.796 . . . . 0.0 112.392 175.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.29 146.18 44.37 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 115.808 -2.044 . . . . 0.0 108.923 -171.015 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.93 134.83 54.57 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 121.797 2.09 . . . . 0.0 109.477 170.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 57.8 mtt -126.77 159.52 33.55 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.213 -1.375 . . . . 0.0 108.209 173.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.2 t30 47.65 -102.82 0.09 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 116.872 -1.537 . . . . 0.0 108.208 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.84 23.89 2.45 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-O 116.333 -2.37 . . . . 0.0 112.895 171.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HZ2' ' HB3' ' A' ' 32' ' ' LYS . 6.3 mtpm? -125.23 151.6 45.68 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.764 2.282 . . . . 0.0 107.82 -177.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 m -105.96 157.04 17.78 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.21 0.944 . . . . 0.0 111.046 -173.002 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.76 117.53 19.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -175.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.1 m -102.49 130.02 49.18 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 178.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.5 m -112.0 105.37 56.43 Favored Pre-proline 0 C--N 1.359 0.992 0 CA-C-O 116.241 -1.838 . . . . 0.0 109.241 -169.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.97 157.61 34.51 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 122.016 1.811 . . . . 0.0 112.715 -166.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tttt . . . . . 0 C--N 1.357 0.902 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.813 173.199 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.965 0 CA-C-O 117.422 -1.766 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -128.31 113.47 30.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 119.398 1.599 . . . . 0.0 106.879 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -103.83 149.62 7.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 178.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.9 pt -131.08 144.54 37.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -102.66 71.25 1.17 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -172.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -118.93 140.99 40.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.454 -177.089 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.69 94.18 0.09 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 p -83.4 164.1 20.16 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 119.733 1.151 . . . . 0.0 108.012 177.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -125.06 -47.62 1.77 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.301 1.001 . . . . 0.0 110.874 168.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -118.41 131.39 71.32 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 123.262 1.506 . . . . 0.0 111.961 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -55.55 -32.31 62.88 Favored 'General case' 0 CA--C 1.505 -0.759 0 O-C-N 120.57 -1.331 . . . . 0.0 108.888 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.49 -39.37 93.26 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.492 1.496 . . . . 0.0 111.509 176.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.32 -23.63 61.19 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.72 -2.086 . . . . 0.0 112.442 -176.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -83.99 -19.4 34.61 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 121.44 1.927 . . . . 0.0 112.799 166.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.42 -37.92 83.79 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.631 -1.652 . . . . 0.0 107.814 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -62.54 4.64 Favored Pre-proline 0 C--N 1.356 0.875 0 CA-C-N 122.732 2.514 . . . . 0.0 112.853 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.86 -29.51 50.04 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 124.921 2.793 . . . . 0.0 111.438 -176.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.35 -32.45 72.35 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.295 1.407 . . . . 0.0 109.957 175.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.71 -45.45 71.52 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.472 1.487 . . . . 0.0 108.884 176.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.673 0.669 . . . . 0.0 109.485 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.86 77.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.22 60.96 0.45 Allowed Glycine 0 C--N 1.354 1.55 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mmt -108.31 144.07 36.33 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.593 -174.471 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -80.33 -29.06 38.02 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.071 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -128.36 154.2 46.24 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 120.342 1.428 . . . . 0.0 111.473 176.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.63 92.72 0.17 Allowed Glycine 0 C--N 1.36 1.908 0 CA-C-O 117.335 -1.814 . . . . 0.0 108.832 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -128.93 152.36 48.65 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.44 -1.743 . . . . 0.0 108.991 -177.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -116.16 149.74 38.57 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 120.038 1.29 . . . . 0.0 107.949 171.465 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' GLY . 24.2 mmt -111.7 135.32 52.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 167.531 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -42.93 92.31 0.01 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.737 1.153 . . . . 0.0 111.404 -170.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.52 -67.8 0.4 Allowed Glycine 0 C--N 1.355 1.606 0 CA-C-O 118.24 -1.311 . . . . 0.0 109.909 -178.105 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -127.68 156.2 42.73 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 116.106 -1.902 . . . . 0.0 109.892 -171.202 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.8 m -99.97 142.56 31.28 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 120.25 1.386 . . . . 0.0 111.888 -176.589 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -128.6 106.51 9.01 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -174.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.7 m -115.34 158.91 21.73 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.533 176.382 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -128.34 136.62 29.36 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-O 115.37 -2.252 . . . . 0.0 109.173 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.07 164.81 33.46 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.694 1.641 . . . . 0.0 112.643 -170.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.357 0.905 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.376 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.925 0 CA-C-O 117.263 -1.854 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.2 123.76 64.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.99 144.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 179.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.18 141.49 45.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 174.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -101.47 67.04 1.12 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.964 0.802 . . . . 0.0 109.103 -172.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -111.39 143.27 21.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.485 -1.245 . . . . 0.0 109.233 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -72.49 84.07 1.11 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.9 p -86.92 159.16 19.13 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.404 -179.08 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -122.14 -47.26 2.15 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.711 -1.138 . . . . 0.0 111.128 175.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.58 145.17 26.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.326 0 CA-C-O 123.747 1.737 . . . . 0.0 113.703 -176.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -59.25 -40.99 87.74 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.868 -175.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 3.2 tmt_? -65.94 -34.69 78.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.242 -178.402 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.22 -26.79 64.03 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.535 1.97 . . . . 0.0 110.94 -178.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -84.36 -16.61 42.23 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.883 1.674 . . . . 0.0 113.32 168.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.84 -36.74 84.31 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.692 -1.623 . . . . 0.0 107.103 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -56.69 -59.04 13.52 Favored Pre-proline 0 C--N 1.355 0.809 0 CA-C-N 122.237 2.289 . . . . 0.0 113.931 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.76 -29.9 41.9 Favored 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 125.704 3.073 . . . . 0.0 112.298 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.24 -52.66 57.64 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.657 1.571 . . . . 0.0 109.14 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -35.82 80.07 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.283 -1.511 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.17 -48.6 81.05 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.774 0.715 . . . . 0.0 109.922 -175.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.98 9.86 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.106 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.04 51.29 0.01 OUTLIER Glycine 0 C--N 1.353 1.499 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.573 176.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.55 157.92 18.04 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.61 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -97.37 -22.41 16.64 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 116.243 -1.836 . . . . 0.0 110.275 175.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.26 168.1 25.03 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 121.834 2.106 . . . . 0.0 112.312 171.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.99 150.98 20.88 Favored Glycine 0 C--N 1.359 1.849 0 CA-C-O 117.68 -1.622 . . . . 0.0 113.314 170.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -136.57 159.26 42.35 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 118.879 1.34 . . . . 0.0 110.851 -172.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -117.87 109.87 17.06 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -120.79 149.07 43.13 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.528 -1.701 . . . . 0.0 108.054 -175.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 t30 48.61 -111.47 0.44 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.344 -1.789 . . . . 0.0 107.495 -176.313 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.8 17.93 4.89 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 116.933 -2.037 . . . . 0.0 112.467 172.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -118.9 167.23 11.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 120.671 2.236 . . . . 0.0 106.459 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.5 m -117.4 159.13 23.27 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.597 1.09 . . . . 0.0 110.399 179.081 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -127.16 116.34 20.49 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -177.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.0 m -103.17 122.17 44.17 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 176.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 p -107.34 116.0 58.73 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 115.888 -2.006 . . . . 0.0 105.879 -173.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.82 167.24 27.76 Favored 'Trans proline' 0 C--N 1.363 1.312 0 CA-C-N 121.328 1.51 . . . . 0.0 111.772 -166.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' OXT' ' HG2' ' A' ' 38' ' ' LYS . 87.1 tttt . . . . . 0 C--N 1.354 0.78 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.327 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.983 0 CA-C-O 117.252 -1.86 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.16 108.3 12.51 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-N 119.572 1.686 . . . . 0.0 106.484 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.1 mt -86.22 146.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 pt -128.65 139.74 51.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 120.092 1.315 . . . . 0.0 107.895 174.373 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -104.46 69.26 0.9 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 119.109 0.868 . . . . 0.0 109.002 -173.041 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -112.54 145.47 18.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.575 -177.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -69.39 88.04 0.46 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 176.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -86.92 152.42 22.45 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.343 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -45.18 2.96 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.587 1.179 . . . . 0.0 109.455 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -125.96 145.18 33.84 Favored 'Isoleucine or valine' 0 C--N 1.37 1.499 0 CA-C-O 124.172 1.939 . . . . 0.0 114.252 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.6 p -60.66 -34.66 74.63 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 120.536 -1.352 . . . . 0.0 109.143 -178.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.36 98.41 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.163 1.347 . . . . 0.0 110.084 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.5 -27.83 67.33 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.418 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.22 -18.05 43.93 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.306 1.412 . . . . 0.0 113.691 168.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -67.61 -43.45 80.42 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.168 -1.873 . . . . 0.0 107.974 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.295 26.6 mp0 -52.61 -61.61 4.41 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 122.883 2.583 . . . . 0.0 112.37 178.559 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.69 -28.14 44.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 CA-C-N 124.48 2.636 . . . . 0.0 112.705 -174.404 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -62.61 -44.94 95.04 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.583 1.538 . . . . 0.0 107.228 176.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.06 -46.5 90.44 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.815 -1.803 . . . . 0.0 108.83 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -49.03 -49.76 39.56 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.24 -177.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.36 42.69 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.519 -178.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.76 52.6 0.02 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 177.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.1 mmt -114.34 143.14 45.37 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.583 -168.198 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -22.16 24.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -176.114 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -148.88 170.03 19.2 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 121.838 2.108 . . . . 0.0 112.967 172.306 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.89 149.59 19.27 Favored Glycine 0 C--N 1.361 1.972 0 CA-C-O 117.686 -1.619 . . . . 0.0 113.331 169.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -136.42 159.03 43.01 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 117.21 -1.376 . . . . 0.0 110.659 -171.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.4 t -116.89 109.77 17.48 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.239 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -117.68 145.04 44.68 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 107.795 -175.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 49.19 -111.19 0.45 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.292 -1.814 . . . . 0.0 107.515 -176.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.41 18.95 4.88 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.945 -2.031 . . . . 0.0 112.567 173.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.593 ' HZ2' ' HB3' ' A' ' 32' ' ' LYS . 6.2 mtpm? -122.03 166.05 15.09 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.717 2.258 . . . . 0.0 106.757 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.49 160.55 20.44 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.12 0.873 . . . . 0.0 110.503 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -129.62 121.59 27.36 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -177.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -105.83 127.92 53.41 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.593 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -115.26 117.32 41.23 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.54 -2.172 . . . . 0.0 108.998 -170.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.34 155.4 51.15 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.71 1.607 . . . . 0.0 112.948 -168.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? . . . . . 0 C--N 1.358 0.958 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 171.569 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' H3 ' ' CD ' ' A' ' 37' ' ' PRO . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.63 88.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.845 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.53 140.69 17.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 pt -142.24 117.58 5.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -88.7 89.84 8.16 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.5 142.05 43.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -65.89 91.18 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -177.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -82.42 163.34 21.72 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.582 ' HZ2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -120.15 -44.31 2.5 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.75 1.282 . . . . 0.0 110.143 165.326 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.62 142.55 39.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.423 1.583 . . . . 0.0 112.995 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -62.11 -28.98 70.01 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.952 -1.718 . . . . 0.0 110.016 -178.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.459 HH21 ' HG ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.19 -40.19 96.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 120.242 1.383 . . . . 0.0 109.187 176.891 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -74.18 -22.5 59.38 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 121.015 1.734 . . . . 0.0 111.973 -176.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -76.23 -27.81 56.93 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.755 1.616 . . . . 0.0 111.498 167.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' HG ' HH21 ' A' ' 12' ' ' ARG . 28.5 tp -66.36 -39.17 88.99 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-O 115.456 -2.211 . . . . 0.0 109.087 -178.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 10.8 mp0 -46.07 -68.15 0.32 Allowed Pre-proline 0 C--N 1.359 0.986 0 CA-C-N 124.108 3.14 . . . . 0.0 112.047 176.18 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.48 -28.87 45.46 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 124.507 2.645 . . . . 0.0 112.522 -174.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.3 m -58.71 -50.22 74.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.692 1.587 . . . . 0.0 108.434 178.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.77 -46.28 90.24 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.181 -0.95 . . . . 0.0 109.091 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -53.68 -46.4 70.65 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.688 -172.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.27 6.5 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.66 52.42 0.01 OUTLIER Glycine 0 C--N 1.354 1.536 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.447 178.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.26 149.69 28.28 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.151 -173.934 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -86.86 -29.69 22.01 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 115.035 -2.412 . . . . 0.0 107.572 173.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.44 157.1 43.54 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 121.918 2.145 . . . . 0.0 112.951 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.05 118.16 1.78 Allowed Glycine 0 C--N 1.361 1.942 0 CA-C-O 117.271 -1.849 . . . . 0.0 109.169 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -136.17 145.63 45.98 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 115.374 -2.25 . . . . 0.0 109.324 -173.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -124.41 154.59 40.19 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.514 2.416 . . . . 0.0 109.099 169.744 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.02 134.14 55.05 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 164.029 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -46.46 93.82 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 CA-C-N 120.037 1.289 . . . . 0.0 109.583 -171.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.36 -73.07 0.28 Allowed Glycine 0 C--N 1.353 1.51 0 N-CA-C 108.764 -1.735 . . . . 0.0 108.764 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -122.07 148.34 44.98 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.05 1.425 . . . . 0.0 112.137 -173.84 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.1 m -83.18 151.39 25.71 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.31 115.51 17.04 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 174.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.3 m -102.6 140.91 36.26 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 175.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.1 m -123.96 113.63 28.29 Favored Pre-proline 0 C--N 1.359 0.997 0 CA-C-O 116.634 -1.651 . . . . 0.0 108.066 -174.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.432 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 71.8 Cg_endo -71.08 162.75 41.59 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 120.732 1.297 . . . . 0.0 111.763 -163.885 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.356 0.864 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.494 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.972 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -116.12 92.08 2.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.8 mm -75.49 146.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 177.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.33 137.92 45.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 171.126 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -100.1 69.7 1.52 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -170.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -123.78 138.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.334 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 99.59 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.498 -1.239 . . . . 0.0 108.34 178.401 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -86.52 162.46 18.04 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 121.218 1.826 . . . . 0.0 107.863 177.169 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -55.11 1.53 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 164.833 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -107.72 123.05 62.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 CA-C-O 123.117 1.436 . . . . 0.0 111.339 -178.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -51.0 -30.69 15.83 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.287 -1.508 . . . . 0.0 109.627 177.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.79 98.35 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.522 1.51 . . . . 0.0 111.307 177.627 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.33 -24.72 64.86 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 116.196 -1.859 . . . . 0.0 112.051 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.07 -18.86 41.64 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.741 1.609 . . . . 0.0 112.8 168.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -47.63 76.55 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.856 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.252 1.0 OUTLIER -44.73 -64.23 0.91 Allowed Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 121.728 2.058 . . . . 0.0 113.218 -176.669 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 -30.68 56.53 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 124.728 2.724 . . . . 0.0 112.089 -177.092 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.21 -44.54 79.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.629 1.559 . . . . 0.0 108.657 176.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -67.61 -45.97 73.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -178.501 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -51.19 -50.53 58.85 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.725 0.693 . . . . 0.0 110.049 -176.467 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -54.59 44.26 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.801 -177.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.58 53.49 0.02 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 121.229 -0.51 . . . . 0.0 111.948 177.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.35 145.45 32.84 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.462 -174.041 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -88.86 -25.48 22.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.393 -2.241 . . . . 0.0 107.255 175.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -137.86 170.99 15.1 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-N 121.329 1.877 . . . . 0.0 111.263 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.77 135.59 4.08 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.273 -1.293 . . . . 0.0 111.556 174.126 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -133.06 143.5 49.4 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 115.367 -2.254 . . . . 0.0 106.724 -174.437 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.255 37.1 t -109.03 140.67 42.25 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 121.894 2.134 . . . . 0.0 105.775 168.928 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASN . 69.4 mtp -113.41 104.35 12.2 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 174.87 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' MET . 41.9 t30 -17.65 89.2 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.025 1.453 . . . . 0.0 114.044 -171.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.49 -70.21 0.42 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.476 -1.85 . . . . 0.0 108.476 178.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -110.38 157.61 19.35 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 116.615 -1.659 . . . . 0.0 108.073 -177.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.7 m -106.21 155.27 19.64 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.594 1.088 . . . . 0.0 110.162 177.374 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -126.52 114.57 18.3 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.3 133.34 44.85 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 177.04 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -116.31 104.69 51.65 Favored Pre-proline 0 C--N 1.357 0.931 0 CA-C-O 116.726 -1.607 . . . . 0.0 108.55 -168.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.33 158.1 58.99 Favored 'Trans proline' 0 C--N 1.365 1.411 0 CA-C-N 120.569 1.239 . . . . 0.0 110.689 -166.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--N 1.355 0.835 0 C-N-CA 118.13 -1.428 . . . . 0.0 108.815 177.047 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 CA--C 1.514 -0.427 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mm -93.68 149.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 pt -135.83 140.04 44.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -101.26 73.02 1.47 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -170.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.47 141.72 39.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.473 -1.251 . . . . 0.0 109.737 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -65.11 96.24 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -83.93 165.05 19.0 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -124.91 -47.75 1.79 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.403 1.064 . . . . 0.0 110.415 167.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt -118.24 134.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 CA-C-O 123.351 1.548 . . . . 0.0 112.33 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -58.63 -29.35 66.45 Favored 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 120.664 -1.273 . . . . 0.0 108.797 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -36.24 82.25 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.7 1.591 . . . . 0.0 111.849 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -72.21 -25.19 61.56 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 115.895 -2.003 . . . . 0.0 111.749 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.3 m -84.18 -17.81 38.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 121.252 1.842 . . . . 0.0 113.085 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -42.14 86.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 116.884 -1.531 . . . . 0.0 107.571 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -61.15 6.82 Favored Pre-proline 0 C--N 1.355 0.819 0 CA-C-N 121.747 2.067 . . . . 0.0 112.903 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.92 -28.89 58.18 Favored 'Trans proline' 0 C--N 1.357 1.005 0 CA-C-N 124.971 2.811 . . . . 0.0 111.505 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.15 -34.44 76.4 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.185 1.357 . . . . 0.0 109.922 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -69.56 -47.85 62.26 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.699 1.591 . . . . 0.0 108.111 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.74 -48.81 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.433 0.56 . . . . 0.0 110.221 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.65 83.41 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.16 62.03 0.25 Allowed Glycine 0 C--N 1.354 1.541 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.5 mmt -108.6 143.22 37.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 117.802 -1.094 . . . . 0.0 108.572 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.34 -40.22 62.31 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.383 -1.77 . . . . 0.0 107.048 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -115.54 152.27 33.32 Favored 'General case' 0 C--N 1.365 1.245 0 CA-C-N 120.205 1.366 . . . . 0.0 111.821 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.18 0.28 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 107.753 -2.139 . . . . 0.0 107.753 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.99 136.42 50.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 114.947 -2.454 . . . . 0.0 108.434 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 16.4 t -113.38 140.93 47.64 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-N 121.906 2.139 . . . . 0.0 107.088 171.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLY . 31.8 mmt -108.48 130.61 55.26 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 103.171 -2.899 . . . . 0.0 103.171 171.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -41.12 91.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.633 1.208 . . . . 0.0 111.574 -168.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 149.73 -68.92 0.33 Allowed Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.119 -1.378 . . . . 0.0 109.783 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -125.84 157.22 38.13 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.518 -1.706 . . . . 0.0 110.17 -172.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.2 m -101.74 139.06 37.9 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 119.616 1.098 . . . . 0.0 110.743 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.6 105.5 8.52 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.8 m -114.27 156.62 24.02 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.068 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.2 p -121.84 135.15 25.01 Favored Pre-proline 0 C--N 1.36 1.059 0 CA-C-O 115.432 -2.223 . . . . 0.0 109.303 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.2 153.44 62.16 Favored 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 121.509 1.575 . . . . 0.0 110.579 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.356 0.861 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.048 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 CA--C 1.513 -0.465 0 CA-C-O 117.538 -1.22 . . . . 0.0 107.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -116.15 148.33 18.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -128.55 137.32 57.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -98.14 71.22 2.11 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.824 1.193 . . . . 0.0 108.429 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -113.7 138.87 41.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.508 -1.234 . . . . 0.0 108.555 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.86 103.34 0.7 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -88.17 168.83 12.42 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 120.161 1.346 . . . . 0.0 107.946 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -120.47 -51.44 2.18 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.302 1.001 . . . . 0.0 109.186 165.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.26 143.97 31.84 Favored 'Isoleucine or valine' 0 C--N 1.368 1.406 0 CA-C-O 124.032 1.872 . . . . 0.0 113.892 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -61.31 -33.8 74.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.468 -1.253 . . . . 0.0 108.563 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -37.91 89.18 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.516 1.507 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.01 -26.46 62.23 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 115.574 -2.155 . . . . 0.0 111.998 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.39 -21.58 33.0 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 121.538 1.972 . . . . 0.0 113.275 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.3 -34.94 79.29 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.026 -1.464 . . . . 0.0 107.506 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -57.58 -63.45 3.77 Favored Pre-proline 0 C--N 1.354 0.773 0 CA-C-N 121.785 2.084 . . . . 0.0 112.852 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.6 -30.51 51.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 124.966 2.809 . . . . 0.0 111.931 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.6 m -59.49 -39.36 83.52 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.812 1.642 . . . . 0.0 110.058 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.73 89.83 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.705 -1.247 . . . . 0.0 109.549 177.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.78 -48.59 81.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 118.927 0.785 . . . . 0.0 109.497 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.23 81.56 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.408 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.24 59.82 0.28 Allowed Glycine 0 C--N 1.354 1.547 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.9 mmt -105.17 144.12 32.4 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.729 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.43 -26.83 41.76 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.545 -1.693 . . . . 0.0 108.442 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.35 158.24 44.87 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 120.41 1.459 . . . . 0.0 112.781 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.92 101.7 0.23 Allowed Glycine 0 C--N 1.363 2.064 0 CA-C-O 116.715 -2.158 . . . . 0.0 111.572 -173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 162.7 30.21 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.399 2.099 . . . . 0.0 110.437 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.3 t -120.9 143.99 48.66 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-O 117.542 -1.218 . . . . 0.0 108.795 165.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 30.9 mmt -109.24 125.45 52.27 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 168.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -39.08 93.72 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.068 1.304 . . . . 0.0 111.243 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -73.94 0.29 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -175.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -125.86 162.05 26.04 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.012 -1.47 . . . . 0.0 110.372 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 56.2 m -103.52 145.99 29.19 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.035 0.834 . . . . 0.0 112.329 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -130.3 102.81 6.36 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.9 m -115.83 162.65 17.0 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.181 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -132.77 138.96 33.14 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.542 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.85 166.08 30.98 Favored 'Trans proline' 0 C--N 1.364 1.343 0 CA-C-N 121.777 1.67 . . . . 0.0 112.522 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? . . . . . 0 C--N 1.357 0.902 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.521 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.52 150.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.15 133.64 47.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -99.45 75.5 1.97 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.82 141.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.645 -1.169 . . . . 0.0 108.436 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.79 94.66 0.47 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 p -82.09 164.4 21.38 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -121.74 -39.79 2.6 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.278 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.87 137.85 56.15 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-O 123.729 1.728 . . . . 0.0 113.937 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.0 p -58.22 -34.98 71.01 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.489 -1.382 . . . . 0.0 108.745 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -62.96 -38.61 91.78 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.478 1.49 . . . . 0.0 111.495 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.79 -25.76 63.03 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.067 -1.92 . . . . 0.0 111.478 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.6 m -84.5 -17.52 38.77 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.947 1.703 . . . . 0.0 113.714 168.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.31 -42.0 80.06 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.432 -1.271 . . . . 0.0 107.987 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.63 -62.04 4.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 116.256 -1.83 . . . . 0.0 111.959 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.37 -29.94 53.85 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.803 2.751 . . . . 0.0 111.547 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.18 -48.78 78.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.163 1.347 . . . . 0.0 109.983 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -59.78 -46.98 87.51 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.75 2.068 . . . . 0.0 109.227 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -49.19 -46.47 45.6 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.105 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -60.91 2.12 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.08 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.49 53.92 0.01 OUTLIER Glycine 0 C--N 1.353 1.516 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.349 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.4 mmt -110.3 144.08 39.55 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.947 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -85.98 -31.59 21.99 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 115.633 -2.127 . . . . 0.0 109.581 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -114.93 149.37 37.38 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 121.533 1.969 . . . . 0.0 110.193 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.5 98.45 0.22 Allowed Glycine 0 C--N 1.359 1.812 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 147.51 50.22 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 115.63 -2.129 . . . . 0.0 108.084 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -115.88 143.91 44.77 Favored 'General case' 0 C--N 1.362 1.142 0 CA-C-N 121.104 1.774 . . . . 0.0 107.418 166.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 29.5 mmt -109.63 135.27 50.87 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 103.145 -2.909 . . . . 0.0 103.145 168.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -45.13 94.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.643 1.111 . . . . 0.0 110.36 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -69.47 0.35 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -176.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -131.71 159.86 37.15 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.735 -1.602 . . . . 0.0 110.383 -172.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 34.0 m -102.09 140.65 36.09 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.241 0.928 . . . . 0.0 111.347 -176.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -128.03 107.63 9.99 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -174.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.69 162.15 17.67 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.932 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -130.7 139.29 35.16 Favored Pre-proline 0 C--N 1.362 1.121 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.238 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.08 157.77 60.4 Favored 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 121.601 1.607 . . . . 0.0 111.278 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--N 1.355 0.805 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.012 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -87.27 152.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 140.86 45.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -102.46 66.16 0.96 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -172.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.34 143.8 21.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.219 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -76.14 92.67 3.25 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -174.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.0 167.54 19.69 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 119.715 1.143 . . . . 0.0 109.108 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -122.03 -46.45 2.2 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.879 1.362 . . . . 0.0 110.219 163.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 pt -123.16 144.78 31.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 CA-C-O 123.986 1.851 . . . . 0.0 113.928 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.8 t -60.96 -37.89 84.01 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 120.744 -1.223 . . . . 0.0 108.431 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -61.86 -35.88 79.61 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.823 1.192 . . . . 0.0 112.114 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.1 -25.31 59.72 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.883 -2.008 . . . . 0.0 111.622 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.8 m -82.94 -19.91 36.3 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.3 1.863 . . . . 0.0 113.503 167.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.58 -44.62 81.74 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.725 -1.607 . . . . 0.0 107.662 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -61.37 5.46 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 122.431 2.378 . . . . 0.0 113.632 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.06 -30.07 65.91 Favored 'Trans proline' 0 C--N 1.357 1.014 0 CA-C-N 124.958 2.807 . . . . 0.0 111.123 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.3 m -62.0 -37.18 83.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.306 1.412 . . . . 0.0 109.932 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.18 -45.8 83.41 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.843 -1.785 . . . . 0.0 108.557 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -52.73 -49.2 65.89 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.479 0.582 . . . . 0.0 110.301 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.52 95.16 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.121 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.07 60.9 0.23 Allowed Glycine 0 C--N 1.354 1.569 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mmt -109.6 143.97 38.56 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.037 -0.982 . . . . 0.0 108.767 -173.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -79.86 -24.41 41.28 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 116.567 -1.682 . . . . 0.0 108.043 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.22 159.47 42.13 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.252 1.387 . . . . 0.0 112.894 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.11 103.27 0.29 Allowed Glycine 0 C--N 1.361 1.94 0 CA-C-O 116.938 -2.035 . . . . 0.0 109.913 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -129.26 150.47 50.62 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 115.282 -2.294 . . . . 0.0 108.295 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.257 36.7 t -108.98 127.5 54.13 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.604 2.002 . . . . 0.0 107.285 171.167 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 95.3 mmm -124.12 124.97 43.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.15 -156.18 0.31 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.4 -4.05 63.6 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 115.385 -2.897 . . . . 0.0 113.896 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -106.4 161.82 14.24 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 122.571 3.186 . . . . 0.0 109.564 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.8 m -110.44 144.95 38.46 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.386 0.994 . . . . 0.0 109.87 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.85 110.2 12.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 117.159 -1.401 . . . . 0.0 107.265 -171.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -116.96 156.99 26.49 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.575 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.7 p -123.56 136.8 27.64 Favored Pre-proline 0 C--N 1.36 1.061 0 CA-C-O 115.055 -2.402 . . . . 0.0 108.025 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.23 161.06 41.34 Favored 'Trans proline' 0 C--N 1.363 1.33 0 CA-C-N 122.118 1.792 . . . . 0.0 113.297 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.358 0.945 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 171.553 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.8 mt -87.05 141.87 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -136.54 129.66 45.92 Favored 'Isoleucine or valine' 0 C--N 1.36 1.029 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -98.61 78.07 2.34 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -171.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.28 143.0 37.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.552 -1.214 . . . . 0.0 109.397 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -60.36 86.67 0.01 OUTLIER 'General case' 0 C--N 1.358 0.971 0 CA-C-N 119.497 1.044 . . . . 0.0 108.937 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -81.42 157.13 25.06 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 120.645 1.566 . . . . 0.0 108.18 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -123.6 -47.86 1.95 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.433 1.083 . . . . 0.0 110.527 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -117.3 128.19 74.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 CA-C-O 123.39 1.567 . . . . 0.0 111.27 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -55.41 -31.84 62.18 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 117.215 -1.374 . . . . 0.0 108.469 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -61.67 -40.83 96.32 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.685 1.584 . . . . 0.0 111.429 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.46 -22.39 62.69 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.163 -176.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -84.61 -19.87 32.3 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.995 1.725 . . . . 0.0 113.38 166.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.19 -39.24 78.8 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 116.551 -1.69 . . . . 0.0 107.748 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.29 -60.45 6.86 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 123.053 2.661 . . . . 0.0 112.45 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.6 -29.13 52.46 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 125.106 2.859 . . . . 0.0 111.799 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.2 m -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.803 1.638 . . . . 0.0 111.034 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -35.86 81.53 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 118.93 -2.356 . . . . 0.0 108.436 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.87 -48.15 80.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.16 69.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.63 57.21 0.07 OUTLIER Glycine 0 C--N 1.354 1.537 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mmm -111.13 148.87 31.76 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.223 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -83.91 -31.7 25.52 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.571 -1.681 . . . . 0.0 109.403 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -127.55 153.81 45.93 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.286 1.403 . . . . 0.0 111.969 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 94.09 0.18 Allowed Glycine 0 C--N 1.363 2.051 0 CA-C-O 117.472 -1.738 . . . . 0.0 109.598 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 151.48 51.83 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 115.944 -1.979 . . . . 0.0 109.979 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 t -120.23 156.29 31.46 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 121.045 1.748 . . . . 0.0 110.264 173.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLY . 10.3 mmt -113.78 136.68 52.59 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 104.251 -2.499 . . . . 0.0 104.251 161.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -43.89 92.12 0.0 OUTLIER 'General case' 0 C--N 1.358 0.948 0 O-C-N 124.441 1.088 . . . . 0.0 110.553 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.74 -71.58 0.29 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -175.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -131.58 150.32 52.19 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.074 -1.441 . . . . 0.0 111.233 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.3 m -95.62 146.85 24.16 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 119.08 0.855 . . . . 0.0 111.69 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -132.47 106.99 8.19 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -114.03 155.23 26.3 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.579 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.9 p -126.87 137.7 31.09 Favored Pre-proline 0 C--N 1.361 1.107 0 CA-C-O 115.794 -2.051 . . . . 0.0 108.789 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.24 161.82 39.82 Favored 'Trans proline' 0 C--N 1.364 1.382 0 CA-C-N 121.787 1.674 . . . . 0.0 114.329 -166.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 tttp . . . . . 0 C--N 1.359 0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 173.531 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 CA--C 1.514 -0.414 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.76 140.76 16.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 104.921 -2.251 . . . . 0.0 104.921 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -126.34 122.44 61.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 167.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -94.11 87.36 5.27 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.425 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.44 142.25 29.27 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 CA-C-N 119.657 1.117 . . . . 0.0 113.63 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 88.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.902 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 p -84.07 166.04 18.03 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 119.605 1.093 . . . . 0.0 109.671 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -125.83 -48.44 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.6 -1.19 . . . . 0.0 111.0 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -118.9 133.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-O 123.476 1.608 . . . . 0.0 112.833 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.5 p -57.22 -35.18 69.34 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 120.622 -1.298 . . . . 0.0 108.17 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -61.3 -41.04 96.31 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.274 1.397 . . . . 0.0 111.473 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.86 -24.94 63.51 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.07 -1.919 . . . . 0.0 111.961 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -84.64 -20.15 31.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.922 1.692 . . . . 0.0 113.474 168.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -67.11 -40.27 86.83 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.837 -1.554 . . . . 0.0 107.799 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.58 -62.76 3.21 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-N 122.487 2.403 . . . . 0.0 112.632 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.69 -31.23 49.78 Favored 'Trans proline' 0 C--N 1.358 1.075 0 CA-C-N 124.909 2.789 . . . . 0.0 112.101 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.94 -37.25 76.3 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.021 1.282 . . . . 0.0 109.273 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -69.08 -48.55 62.4 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.45 1.477 . . . . 0.0 108.514 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -44.22 -51.55 8.14 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 118.461 0.573 . . . . 0.0 110.4 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -51.53 62.01 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.727 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.85 60.74 0.07 OUTLIER Glycine 0 C--N 1.355 1.626 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -103.04 153.8 19.9 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -85.47 -34.92 21.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-O 116.025 -1.94 . . . . 0.0 107.558 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -127.31 155.87 42.86 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 120.259 1.391 . . . . 0.0 110.742 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.01 97.22 0.19 Allowed Glycine 0 C--N 1.36 1.907 0 CA-C-O 116.711 -2.161 . . . . 0.0 111.421 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -132.79 160.23 37.46 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 120.417 2.108 . . . . 0.0 111.135 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 8.6 t -118.48 152.58 35.67 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 169.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.2 mmt -113.03 139.13 48.93 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 165.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -45.26 93.25 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.79 1.177 . . . . 0.0 110.541 -170.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.15 -67.64 0.39 Allowed Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.091 -1.394 . . . . 0.0 110.222 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -133.83 153.06 52.0 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.787 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -99.46 139.18 35.49 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.699 1.136 . . . . 0.0 110.489 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -133.33 114.2 13.46 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.952 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -117.88 162.41 18.16 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.003 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -122.94 136.51 26.93 Favored Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.522 -2.18 . . . . 0.0 108.036 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.77 162.47 41.09 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.098 1.785 . . . . 0.0 111.623 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.83 ' OXT' ' HD3' ' A' ' 38' ' ' LYS . 8.9 tmtm? . . . . . 0 C--N 1.355 0.844 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 171.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--O 1.222 -0.353 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.02 143.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.1 pt -139.85 138.78 38.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 119.737 1.153 . . . . 0.0 109.204 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -102.15 74.05 1.41 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -126.57 141.05 47.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.527 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -62.68 98.85 0.13 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.5 p -85.03 163.73 18.67 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 120.701 1.591 . . . . 0.0 107.885 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HZ1' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -122.64 -50.27 1.98 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.322 1.013 . . . . 0.0 109.345 168.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.61 138.05 53.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.26 0 CA-C-O 123.691 1.71 . . . . 0.0 112.795 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -36.11 72.53 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.6 -1.313 . . . . 0.0 108.125 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.69 -40.44 92.2 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.922 1.237 . . . . 0.0 111.328 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.82 -23.51 62.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.116 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.51 -21.49 32.75 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.094 1.77 . . . . 0.0 112.968 167.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 tp -66.74 -36.52 82.66 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.457 -1.735 . . . . 0.0 107.842 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.23 -62.04 5.5 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-N 123.348 2.794 . . . . 0.0 112.99 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.75 -29.47 68.68 Favored 'Trans proline' 0 C--N 1.354 0.856 0 CA-C-N 125.361 2.95 . . . . 0.0 111.127 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.0 m -64.67 -43.03 94.9 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.158 1.345 . . . . 0.0 111.472 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.9 2.136 . . . . 0.0 109.647 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.37 -49.05 78.5 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.106 0.866 . . . . 0.0 109.072 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.93 79.29 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.116 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 55.24 0.09 OUTLIER Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.0 mmt -109.9 140.2 44.13 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.19 -40.78 51.48 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -113.81 153.45 29.1 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 120.672 1.578 . . . . 0.0 112.486 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.71 95.41 0.17 Allowed Glycine 0 C--N 1.361 1.957 0 CA-C-O 117.103 -1.943 . . . . 0.0 110.032 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -131.28 154.85 48.07 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.747 1.774 . . . . 0.0 110.501 -176.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.68 149.33 39.98 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.37 130.56 56.84 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 167.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -35.86 93.44 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.546 1.153 . . . . 0.0 112.245 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.03 -69.24 0.4 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 118.349 -1.251 . . . . 0.0 110.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -123.45 155.04 38.21 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 116.489 -1.719 . . . . 0.0 109.352 -170.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -103.07 143.18 32.92 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.989 1.268 . . . . 0.0 111.427 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -134.7 112.97 11.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.824 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -118.03 162.19 18.58 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.722 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.9 p -129.66 134.12 25.84 Favored Pre-proline 0 C--N 1.361 1.106 0 CA-C-O 115.721 -2.085 . . . . 0.0 109.662 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.07 154.6 52.53 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.341 1.361 . . . . 0.0 111.524 -170.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 C--N 1.356 0.849 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 172.5 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 CA--C 1.511 -0.534 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 3' ' ' ILE . 2.4 mp -94.08 146.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.6 pt -135.14 140.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -99.48 76.47 2.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.74 142.47 40.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.74 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -60.28 91.42 0.02 OUTLIER 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.552 1.069 . . . . 0.0 109.201 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -80.87 160.08 24.85 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 120.96 1.709 . . . . 0.0 108.316 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.56 -53.7 1.78 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 pt -116.17 131.66 68.02 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.54 1.638 . . . . 0.0 112.03 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 t -56.87 -30.4 63.83 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 120.356 -1.465 . . . . 0.0 109.191 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -65.81 -40.44 91.87 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 120.196 1.362 . . . . 0.0 109.174 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.98 -22.38 64.11 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 121.875 2.125 . . . . 0.0 112.739 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.1 m -84.25 -18.17 37.37 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.54 1.973 . . . . 0.0 112.835 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.67 -40.72 92.71 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.315 -1.802 . . . . 0.0 107.437 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -52.65 -65.49 1.05 Allowed Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 122.895 2.589 . . . . 0.0 112.905 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.95 -30.29 83.29 Favored 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 125.161 2.879 . . . . 0.0 111.634 -174.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.8 m -63.38 -37.72 88.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.845 1.202 . . . . 0.0 110.608 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -39.94 56.79 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.657 2.026 . . . . 0.0 109.376 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -57.54 -46.4 83.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.237 0.926 . . . . 0.0 108.888 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.55 67.79 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.684 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.54 62.02 0.08 OUTLIER Glycine 0 C--N 1.356 1.678 0 CA-C-N 118.777 0.717 . . . . 0.0 111.575 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.75 150.26 28.58 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.822 -176.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -85.75 -26.91 25.56 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.547 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -128.25 152.0 48.61 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.138 1.79 . . . . 0.0 111.599 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.24 96.12 0.19 Allowed Glycine 0 C--N 1.359 1.83 0 CA-C-O 116.573 -2.237 . . . . 0.0 109.363 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -129.39 152.47 48.9 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 120.239 2.019 . . . . 0.0 109.596 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.0 t -115.61 149.08 38.85 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.044 1.747 . . . . 0.0 108.387 168.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 92.4 mmm -111.59 127.63 55.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 168.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -41.61 94.92 0.01 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.959 1.254 . . . . 0.0 111.083 -169.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 148.81 -69.84 0.33 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 159.81 35.53 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.216 -1.849 . . . . 0.0 109.708 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 33.2 m -99.26 142.66 30.46 Favored 'General case' 0 C--N 1.361 1.101 0 CA-C-N 119.9 1.227 . . . . 0.0 111.908 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -130.15 103.21 6.6 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -115.61 160.37 20.09 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.979 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -127.53 135.82 28.01 Favored Pre-proline 0 C--N 1.361 1.069 0 CA-C-O 116.122 -1.894 . . . . 0.0 108.667 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.53 167.92 25.03 Favored 'Trans proline' 0 C--N 1.365 1.4 0 CA-C-N 121.273 1.49 . . . . 0.0 112.09 -168.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.873 ' OXT' ' HD3' ' A' ' 38' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.6 mm -100.25 134.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 116.19 -1.862 . . . . 0.0 106.078 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.8 pt -136.76 140.94 42.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 120.943 1.701 . . . . 0.0 108.28 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -100.79 70.12 1.39 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -172.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -114.75 139.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.565 -1.207 . . . . 0.0 109.658 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.94 90.57 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.7 p -82.55 161.46 22.3 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.53 -40.03 2.5 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 124.896 1.372 . . . . 0.0 109.78 169.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -124.66 140.34 48.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 CA-C-O 124.213 1.958 . . . . 0.0 113.917 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -61.52 -31.87 71.88 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.4 -1.437 . . . . 0.0 108.557 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -65.03 -37.44 87.61 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 120.421 1.464 . . . . 0.0 111.082 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -71.88 -25.94 62.14 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 115.694 -2.098 . . . . 0.0 111.962 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.2 m -84.25 -17.92 38.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 121.52 1.964 . . . . 0.0 113.191 167.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.12 -40.95 86.93 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.035 -1.459 . . . . 0.0 108.053 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -62.4 4.3 Favored Pre-proline 0 C--N 1.356 0.85 0 CA-C-N 121.816 2.098 . . . . 0.0 112.59 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.36 -29.16 63.15 Favored 'Trans proline' 0 C--N 1.357 1.022 0 CA-C-N 124.712 2.719 . . . . 0.0 111.222 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.82 -37.25 83.74 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.174 1.352 . . . . 0.0 109.835 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -66.17 -45.09 82.11 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.479 1.945 . . . . 0.0 109.621 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -53.6 -45.2 69.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.167 0.894 . . . . 0.0 109.592 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.91 61.78 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.162 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.71 58.47 0.09 OUTLIER Glycine 0 C--N 1.355 1.634 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mmt -110.34 142.75 41.56 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.354 -173.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -75.61 -39.45 57.89 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.618 -1.658 . . . . 0.0 107.55 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -116.16 151.22 36.1 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 119.702 1.137 . . . . 0.0 111.61 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 97.33 0.24 Allowed Glycine 0 C--N 1.359 1.823 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -125.47 132.91 52.59 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 115.36 -2.257 . . . . 0.0 106.485 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 20.1 t -110.76 144.28 39.99 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 98.4 mmm -113.93 135.5 53.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -42.75 92.16 0.0 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.439 1.087 . . . . 0.0 111.656 -167.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.83 -67.23 0.41 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.992 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -125.13 156.66 37.99 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 116.471 -1.728 . . . . 0.0 110.215 -171.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 m -103.17 141.63 35.53 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.882 1.219 . . . . 0.0 111.441 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.45 102.94 5.5 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -172.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.9 m -111.02 168.83 9.19 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.219 -1.372 . . . . 0.0 108.908 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.7 p -138.15 141.05 30.72 Favored Pre-proline 0 C--N 1.36 1.025 0 CA-C-O 115.496 -2.193 . . . . 0.0 110.169 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.42 153.68 55.59 Favored 'Trans proline' 0 C--N 1.365 1.416 0 CA-C-N 121.815 1.684 . . . . 0.0 112.044 -170.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.927 ' OXT' ' HD2' ' A' ' 38' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 170.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mm -93.41 147.14 5.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -126.22 139.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -99.2 70.38 1.76 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.51 140.24 46.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.179 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -62.18 106.06 0.68 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.985 1.266 . . . . 0.0 108.443 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 15.2 p -91.67 161.39 14.93 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 121.547 1.976 . . . . 0.0 108.166 175.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -121.97 -40.76 2.49 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.406 1.066 . . . . 0.0 111.182 163.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.21 133.38 69.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 124.499 2.095 . . . . 0.0 112.224 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.4 p -58.25 -34.68 70.74 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.453 -1.404 . . . . 0.0 107.613 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.571 HH21 ' CD ' ' A' ' 16' ' ' GLU . 1.8 ttp-105 -64.9 -35.55 81.5 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.839 1.2 . . . . 0.0 110.981 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.14 -25.7 61.82 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.564 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.3 m -85.22 -20.8 29.59 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.524 1.966 . . . . 0.0 112.86 168.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.02 -38.69 92.21 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.463 -1.256 . . . . 0.0 107.68 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.571 ' CD ' HH21 ' A' ' 12' ' ' ARG . 99.0 mt-10 -58.88 -61.48 7.69 Favored Pre-proline 0 C--N 1.354 0.763 0 CA-C-N 121.109 1.777 . . . . 0.0 113.192 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.13 -28.86 80.22 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 125.633 3.047 . . . . 0.0 111.146 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.24 -38.56 90.72 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.14 1.336 . . . . 0.0 110.925 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.63 76.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 122.617 2.462 . . . . 0.0 109.08 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.45 -47.87 83.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.8 95.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.527 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.68 56.82 0.19 Allowed Glycine 0 C--N 1.354 1.578 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.9 mmm -111.99 147.02 36.81 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.333 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -81.85 -33.45 30.64 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.611 -1.662 . . . . 0.0 110.122 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -122.16 153.04 39.29 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.268 1.395 . . . . 0.0 110.635 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.35 89.72 0.16 Allowed Glycine 0 C--N 1.359 1.818 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -127.63 152.6 47.47 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 116.11 -1.9 . . . . 0.0 108.361 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.5 t -113.5 147.77 37.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 120.497 1.499 . . . . 0.0 109.019 170.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.46 129.61 55.54 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 167.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.17 95.84 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 O-C-N 124.559 1.162 . . . . 0.0 111.11 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.3 -71.06 0.4 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -127.21 161.8 27.67 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.45 -1.738 . . . . 0.0 109.961 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.3 m -101.85 144.8 30.06 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 119.584 1.084 . . . . 0.0 112.169 -175.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -127.93 106.0 8.8 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.66 157.14 23.51 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.929 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -128.56 136.61 29.38 Favored Pre-proline 0 C--N 1.361 1.08 0 CA-C-O 115.518 -2.182 . . . . 0.0 109.054 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.44 156.66 50.01 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 121.979 1.743 . . . . 0.0 112.961 -169.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 C--N 1.357 0.933 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 171.841 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.3 t . . . . . 0 C--O 1.221 -0.442 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.1 mt -75.77 145.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.409 -1.281 . . . . 0.0 107.669 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 pt -138.1 127.06 32.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 CA-C-N 119.198 0.908 . . . . 0.0 108.868 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -96.56 81.23 3.19 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.0 t -126.34 141.2 46.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.471 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 104.2 0.56 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -91.69 167.31 12.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 122.289 2.313 . . . . 0.0 105.421 174.132 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -121.8 -42.74 2.39 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.866 1.979 . . . . 0.0 110.286 154.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 pt -123.81 147.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 CA-C-O 123.981 1.848 . . . . 0.0 114.201 -173.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -64.17 -32.94 74.71 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 116.861 -1.542 . . . . 0.0 109.257 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.6 -39.79 94.36 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 121.482 1.946 . . . . 0.0 110.871 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.4 -28.74 66.42 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.405 -1.76 . . . . 0.0 111.769 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.36 -20.93 33.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.503 1.501 . . . . 0.0 113.478 170.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.97 -38.83 86.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 116.779 -1.582 . . . . 0.0 108.328 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.96 -62.78 3.32 Favored Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 122.429 2.377 . . . . 0.0 111.899 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.77 -27.87 51.86 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 124.989 2.818 . . . . 0.0 112.879 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.12 -44.24 95.04 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.51 1.505 . . . . 0.0 108.456 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -67.89 -44.06 77.87 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.8 -1.187 . . . . 0.0 108.979 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -45.8 -52.96 10.37 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.213 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.13 16.94 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.28 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.58 50.67 0.01 OUTLIER Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.361 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -106.0 141.01 38.11 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.543 -174.056 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.05 -23.49 26.72 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 115.409 -2.234 . . . . 0.0 107.234 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -137.69 165.9 25.27 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-N 121.512 1.96 . . . . 0.0 111.593 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.7 129.6 2.96 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-O 117.247 -1.863 . . . . 0.0 109.716 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 115.771 -2.061 . . . . 0.0 107.539 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.268 46.6 t -109.31 141.06 42.17 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 167.395 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -112.91 127.46 56.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.351 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.3 94.08 0.01 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 124.658 1.224 . . . . 0.0 110.998 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.63 -72.4 0.32 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.23 166.34 16.67 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.325 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.9 m -115.39 156.26 25.88 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.975 0.797 . . . . 0.0 111.114 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -129.93 123.49 30.85 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.9 m -101.97 132.7 47.64 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 m -113.97 106.01 53.82 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 116.8 -1.571 . . . . 0.0 108.694 -170.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 158.49 56.7 Favored 'Trans proline' 0 C--N 1.365 1.409 0 CA-C-N 120.789 1.318 . . . . 0.0 110.336 -167.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? . . . . . 0 C--N 1.356 0.85 0 C-N-CA 117.894 -1.522 . . . . 0.0 107.028 176.762 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.1 t . . . . . 0 CA--C 1.514 -0.412 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.6 mm -114.27 146.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.0 pt -133.71 133.48 56.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 169.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -97.18 71.95 2.43 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.055 1.298 . . . . 0.0 108.301 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.1 141.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.497 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.19 92.86 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.9 p -83.35 166.2 18.65 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 120.637 1.562 . . . . 0.0 109.099 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -125.22 -54.55 1.59 Allowed 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.296 0.997 . . . . 0.0 108.795 167.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 pt -114.31 135.64 53.43 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 CA-C-O 123.614 1.673 . . . . 0.0 112.615 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 p -56.91 -35.9 69.56 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -61.46 -40.88 96.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.201 1.364 . . . . 0.0 111.486 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -70.61 -23.12 62.49 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.003 -1.951 . . . . 0.0 112.413 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.6 m -84.41 -21.71 30.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.101 1.773 . . . . 0.0 112.704 167.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.47 -35.95 80.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.305 -1.807 . . . . 0.0 107.497 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.02 -63.8 2.37 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-N 123.325 2.784 . . . . 0.0 112.881 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.19 -31.37 54.03 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.793 2.748 . . . . 0.0 112.117 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.55 -39.87 95.0 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.644 1.565 . . . . 0.0 110.885 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -51.35 68.43 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 120.905 -1.122 . . . . 0.0 108.34 177.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -55.34 -47.06 76.25 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.898 -0.572 . . . . 0.0 110.709 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.48 82.95 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.291 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.74 57.4 0.22 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.5 mmt -104.73 143.76 32.66 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.321 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -72.27 -36.34 68.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.33 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.63 157.41 45.83 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.995 1.27 . . . . 0.0 113.056 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.65 105.21 0.37 Allowed Glycine 0 C--N 1.362 2.0 0 CA-C-O 117.406 -1.774 . . . . 0.0 109.921 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -137.68 158.1 45.08 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 116.282 -1.818 . . . . 0.0 109.52 -175.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -116.13 148.08 40.68 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 120.654 1.57 . . . . 0.0 108.232 172.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -110.97 125.16 53.41 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 167.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.95 96.45 0.01 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.167 1.348 . . . . 0.0 111.461 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.35 -70.25 0.42 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 159.08 26.99 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 116.714 -1.612 . . . . 0.0 110.147 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.8 m -102.08 148.8 24.95 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.433 1.015 . . . . 0.0 111.625 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -131.68 115.3 15.85 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.138 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.3 m -119.79 163.18 17.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.52 1.509 . . . . 0.0 109.725 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -131.72 136.56 28.63 Favored Pre-proline 0 C--N 1.36 1.026 0 CA-C-O 115.629 -2.129 . . . . 0.0 109.139 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.94 157.24 43.13 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.579 1.6 . . . . 0.0 112.474 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.356 0.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 169.66 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.0 140.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 pt -124.78 106.64 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -91.31 77.5 5.86 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -169.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.57 149.7 25.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 CA-C-O 118.74 -0.648 . . . . 0.0 112.468 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -61.68 108.27 0.96 Allowed 'General case' 0 C--N 1.358 0.941 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.233 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -88.72 174.66 7.88 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.333 0.97 . . . . 0.0 109.625 173.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -121.68 -53.38 1.99 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 162.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -122.49 146.27 27.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.32 0 CA-C-O 124.575 2.131 . . . . 0.0 115.255 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -59.13 -41.23 87.76 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.675 -1.266 . . . . 0.0 108.768 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -60.47 -35.51 76.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.529 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -75.73 -19.87 58.74 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.758 -2.068 . . . . 0.0 111.794 -176.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.4 m -85.69 -19.19 31.25 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 121.457 1.935 . . . . 0.0 112.749 165.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.24 -37.71 84.0 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.357 -1.782 . . . . 0.0 107.736 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -61.24 8.06 Favored Pre-proline 0 C--N 1.355 0.844 0 CA-C-N 123.034 2.652 . . . . 0.0 112.359 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.6 -32.83 57.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 CA-C-N 125.769 3.096 . . . . 0.0 111.732 -175.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -62.61 -37.43 86.24 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.527 1.512 . . . . 0.0 109.972 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.29 -47.99 83.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 121.069 1.759 . . . . 0.0 108.711 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -58.61 -46.06 87.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.107 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.59 87.04 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.894 0.77 . . . . 0.0 110.138 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.21 53.9 0.16 Allowed Glycine 0 C--N 1.354 1.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.8 mmt -113.11 140.48 47.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -73.92 -39.79 63.57 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.865 -1.54 . . . . 0.0 107.088 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -114.88 153.45 30.46 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.718 1.144 . . . . 0.0 112.629 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.94 87.6 0.13 Allowed Glycine 0 C--N 1.366 2.199 0 CA-C-O 115.446 -2.863 . . . . 0.0 113.339 -175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.49 164.91 23.78 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 121.619 2.709 . . . . 0.0 111.256 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.358 170.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.9 mmt -125.19 162.93 23.56 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 171.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t30 48.88 -108.18 0.26 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.619 -1.658 . . . . 0.0 107.726 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.43 24.17 2.94 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.116 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 153.94 43.84 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.369 2.085 . . . . 0.0 107.745 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -103.41 140.24 37.73 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.44 1.018 . . . . 0.0 111.832 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -127.62 115.07 18.21 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.69 158.29 24.04 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 117.527 -1.225 . . . . 0.0 110.974 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 p -134.09 137.45 28.27 Favored Pre-proline 0 C--N 1.363 1.174 0 CA-C-O 115.71 -2.091 . . . . 0.0 110.415 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.65 155.0 63.86 Favored 'Trans proline' 0 C--N 1.369 1.647 0 CA-C-N 121.286 1.495 . . . . 0.0 113.093 -167.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.357 0.916 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.808 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 C--O 1.221 -0.423 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 86.8 mt -78.95 144.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.6 pt -138.35 136.5 44.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -99.86 64.49 1.25 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.3 145.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.185 -0.912 . . . . 0.0 108.977 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -81.08 85.78 6.25 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.07 165.11 19.85 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 119.988 1.267 . . . . 0.0 108.879 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -121.24 -31.38 4.12 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.114 1.509 . . . . 0.0 112.304 157.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.22 140.45 49.05 Favored 'Isoleucine or valine' 0 C--N 1.371 1.521 0 CA-C-O 123.97 1.843 . . . . 0.0 113.726 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -34.42 76.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.53 -1.356 . . . . 0.0 108.278 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.3 -39.0 93.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.687 1.585 . . . . 0.0 111.516 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.74 -28.01 65.43 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.093 -1.908 . . . . 0.0 111.463 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.5 m -83.7 -18.62 37.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.783 1.629 . . . . 0.0 113.506 169.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 tp -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.088 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.53 -63.27 2.64 Favored Pre-proline 0 C--N 1.355 0.835 0 CA-C-N 122.055 2.207 . . . . 0.0 111.963 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.51 -30.3 52.32 Favored 'Trans proline' 0 C--N 1.359 1.093 0 CA-C-N 124.655 2.698 . . . . 0.0 112.262 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.59 -49.28 78.18 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.216 1.371 . . . . 0.0 108.828 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -63.39 -46.95 84.06 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 119.977 -1.702 . . . . 0.0 108.654 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -49.43 -46.0 47.11 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.118 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.42 -62.19 1.5 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.413 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.22 50.13 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.669 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 118.541 -0.743 . . . . 0.0 111.019 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -88.46 -27.15 21.69 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.957 -1.973 . . . . 0.0 108.591 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.75 163.16 32.04 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.311 1.869 . . . . 0.0 112.458 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 122.01 1.78 Allowed Glycine 0 C--N 1.357 1.713 0 CA-C-O 117.268 -1.851 . . . . 0.0 108.892 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -130.42 138.06 50.15 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 116.06 -1.924 . . . . 0.0 107.126 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.6 t -110.17 143.17 40.67 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 2.9 mmt -113.08 133.42 55.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 170.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -40.49 94.25 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.541 1.15 . . . . 0.0 111.276 -168.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 143.74 -70.33 0.4 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.1 161.24 27.22 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.644 -1.169 . . . . 0.0 111.267 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.9 m -109.73 155.91 20.96 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.965 -176.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -129.87 120.49 25.01 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 m -104.77 114.39 28.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 m -98.14 110.43 56.03 Favored Pre-proline 0 C--N 1.361 1.077 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.205 -169.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.66 156.17 64.34 Favored 'Trans proline' 0 C--N 1.366 1.486 0 CA-C-N 121.263 1.487 . . . . 0.0 112.831 -165.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--N 1.356 0.866 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 173.823 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 CA--C 1.513 -0.48 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.5 mp -100.67 143.85 13.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.0 pt -134.73 142.72 39.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.11 67.81 2.64 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -167.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.21 138.28 46.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.59 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -67.23 89.25 0.19 Allowed 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.25 11.7 p -83.0 154.01 24.69 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -116.64 -22.49 8.62 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.888 159.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -129.35 142.9 42.77 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 CA-C-O 124.104 1.907 . . . . 0.0 112.876 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -63.7 -33.81 76.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 120.198 -1.564 . . . . 0.0 108.415 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 111.192 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.35 -22.87 61.09 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.923 1.692 . . . . 0.0 111.554 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.2 m -77.53 -30.92 53.07 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.695 1.589 . . . . 0.0 112.198 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.09 -41.62 90.43 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 116.92 -1.514 . . . . 0.0 110.199 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.04 -62.43 2.84 Favored Pre-proline 0 C--N 1.357 0.911 0 CA-C-N 122.161 2.255 . . . . 0.0 111.736 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.15 -26.28 50.01 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 124.594 2.676 . . . . 0.0 111.852 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.57 -45.98 87.88 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.83 1.65 . . . . 0.0 108.14 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -61.6 -49.57 76.09 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.275 -1.516 . . . . 0.0 109.571 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -48.33 -48.9 35.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.897 -174.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.53 -56.18 18.07 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.609 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.11 57.84 0.02 OUTLIER Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.2 mmt -117.65 146.02 43.97 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.304 -172.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -78.96 -36.71 41.06 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.665 -2.112 . . . . 0.0 107.816 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.07 160.1 32.18 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.039 1.745 . . . . 0.0 113.194 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.97 110.04 0.88 Allowed Glycine 0 C--N 1.358 1.804 0 N-CA-C 106.826 -2.509 . . . . 0.0 106.826 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -124.83 133.32 53.15 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 115.405 -2.236 . . . . 0.0 105.002 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -115.61 149.68 37.89 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 121.551 1.978 . . . . 0.0 106.155 170.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.5 mmm -114.28 138.1 50.93 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 103.529 -2.767 . . . . 0.0 103.529 169.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -46.79 94.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.205 1.366 . . . . 0.0 109.855 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.65 -69.56 0.39 Allowed Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.28 -176.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 20.2 mtpp -118.34 152.98 34.77 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.098 -1.906 . . . . 0.0 110.195 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -90.98 147.27 23.21 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -126.72 108.66 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.5 m -101.83 140.37 36.22 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.138 -1.411 . . . . 0.0 107.259 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 m -116.24 108.69 45.4 Favored Pre-proline 0 C--N 1.357 0.933 0 CA-C-O 116.089 -1.91 . . . . 0.0 109.348 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.09 162.97 33.66 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.845 1.697 . . . . 0.0 112.976 -166.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.3 tptt . . . . . 0 C--N 1.357 0.928 0 C-N-CA 118.575 -1.25 . . . . 0.0 110.669 176.323 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.97 146.7 6.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.61 139.97 49.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -102.54 68.81 1.07 Allowed 'General case' 0 C--N 1.358 0.965 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.89 141.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.124 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.55 89.03 0.95 Allowed 'General case' 0 C--N 1.36 1.051 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.288 0.5 OUTLIER -80.32 167.93 19.65 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 178.796 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -125.07 -32.66 2.98 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 126.413 2.321 . . . . 0.0 112.485 156.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.29 151.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-O 124.201 1.953 . . . . 0.0 114.722 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -68.24 -32.85 73.33 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.012 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.62 -41.33 98.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 121.462 1.937 . . . . 0.0 110.018 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.52 -29.09 66.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.093 -1.908 . . . . 0.0 112.111 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.37 -20.1 34.86 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.96 1.709 . . . . 0.0 113.227 169.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.44 -38.5 90.04 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.166 -1.397 . . . . 0.0 108.265 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -62.32 3.61 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-N 121.657 2.026 . . . . 0.0 111.979 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.19 -27.69 41.21 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-N 124.739 2.728 . . . . 0.0 111.781 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.2 -53.24 59.35 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.784 1.629 . . . . 0.0 108.581 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -63.91 -38.4 90.94 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.203 -1.561 . . . . 0.0 109.924 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.13 -51.83 67.75 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.192 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.89 78.47 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.705 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.08 53.89 0.05 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 mmt -114.24 143.2 45.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -171.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -83.19 -28.87 29.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.539 -2.172 . . . . 0.0 107.24 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.16 161.42 29.31 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.519 1.509 . . . . 0.0 112.569 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 113.1 1.25 Allowed Glycine 0 C--N 1.36 1.892 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.36 124.31 33.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.867 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 38.2 t -110.72 140.61 44.95 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-N 121.496 1.953 . . . . 0.0 107.68 171.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.3 mtt -114.17 135.42 54.06 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 167.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.93 96.31 0.01 OUTLIER 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.204 0.94 . . . . 0.0 110.268 -171.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.2 -71.33 0.36 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.21 172.43 10.06 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 117.091 -1.433 . . . . 0.0 109.463 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -121.95 155.66 35.04 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 119.099 0.863 . . . . 0.0 111.506 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -130.28 116.39 18.29 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -104.16 126.8 51.56 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -101.29 122.26 48.88 Favored Pre-proline 0 C--N 1.357 0.935 0 CA-C-O 115.472 -2.204 . . . . 0.0 108.718 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.06 155.98 56.41 Favored 'Trans proline' 0 C--N 1.364 1.368 0 CA-C-N 121.989 1.746 . . . . 0.0 112.794 -168.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' OXT' ' A' ' 38' ' ' LYS . 6.6 ttpm? . . . . . 0 C--N 1.358 0.956 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 68.8 t . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.6 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.0 pt -133.91 143.47 38.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 173.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -101.26 72.8 1.46 Allowed 'General case' 0 C--N 1.357 0.92 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -172.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.02 138.6 53.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.315 -1.326 . . . . 0.0 109.146 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -66.46 100.39 0.65 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-O 116.776 -1.583 . . . . 0.0 107.548 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 8.5 p -84.61 161.24 20.21 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -116.46 -40.55 3.21 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.92 1.388 . . . . 0.0 108.893 160.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 pt -122.09 142.56 37.95 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 CA-C-O 124.421 2.058 . . . . 0.0 114.151 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -62.08 -32.86 73.45 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 117.15 -1.405 . . . . 0.0 108.863 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 24.3 tpt180 -63.04 -38.57 91.72 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.91 1.686 . . . . 0.0 111.057 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.31 -27.97 64.8 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 116.002 -1.952 . . . . 0.0 111.552 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -82.64 -20.19 36.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.975 1.716 . . . . 0.0 113.205 168.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.62 -39.85 84.68 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.129 -1.415 . . . . 0.0 108.761 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 2.8 mp0 -53.62 -61.09 5.63 Favored Pre-proline 0 C--N 1.357 0.895 0 CA-C-N 121.769 2.077 . . . . 0.0 111.839 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.33 -24.34 43.52 Favored 'Trans proline' 0 C--N 1.357 0.977 0 CA-C-N 125.088 2.853 . . . . 0.0 112.075 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.37 -42.05 90.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.056 1.753 . . . . 0.0 107.134 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.031 -1.668 . . . . 0.0 110.365 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -55.58 -37.62 68.31 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.831 1.196 . . . . 0.0 111.06 -171.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -56.02 9.26 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.066 0.848 . . . . 0.0 109.469 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.56 52.77 0.02 OUTLIER Glycine 0 C--N 1.354 1.555 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.42 133.52 54.45 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -82.55 -22.47 34.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.424 -2.226 . . . . 0.0 107.149 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -136.76 168.18 20.01 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 121.094 1.77 . . . . 0.0 111.411 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.92 128.02 2.76 Favored Glycine 0 C--N 1.358 1.762 0 CA-C-O 117.548 -1.696 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.65 125.19 29.8 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.601 -2.142 . . . . 0.0 106.354 -178.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.3 t -109.07 140.41 42.66 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 169.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.2 mtm -114.99 124.49 51.8 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -33.51 89.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.184 1.552 . . . . 0.0 112.399 -168.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.37 -72.32 0.29 Allowed Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -124.26 165.01 18.38 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.731 -1.604 . . . . 0.0 108.991 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m -113.89 153.83 28.55 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -126.4 111.23 14.23 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -98.99 127.35 44.89 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 m -110.21 110.46 58.4 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 116.237 -1.84 . . . . 0.0 109.736 -166.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 153.72 72.94 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.338 1.359 . . . . 0.0 110.369 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--N 1.356 0.889 0 C-N-CA 117.226 -1.789 . . . . 0.0 108.721 175.156 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.5 mp -90.96 141.99 13.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.9 pt -127.82 130.94 70.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -95.34 75.57 3.37 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -174.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.62 141.93 37.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.124 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -73.15 93.68 1.86 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 p -83.78 164.11 19.76 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 119.479 1.036 . . . . 0.0 109.899 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -126.06 -48.22 1.61 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.565 167.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -117.56 130.12 72.95 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-O 123.225 1.488 . . . . 0.0 111.803 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -53.59 -34.72 59.42 Favored 'General case' 0 CA--C 1.504 -0.795 0 O-C-N 120.436 -1.415 . . . . 0.0 108.578 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -60.68 -42.17 96.57 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.949 1.249 . . . . 0.0 111.69 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.67 -21.63 63.51 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.108 -1.901 . . . . 0.0 111.727 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.26 -21.59 31.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.835 1.652 . . . . 0.0 113.391 167.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.2 -44.55 88.0 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.308 1.413 . . . . 0.0 107.342 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.43 -62.05 3.12 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.154 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.62 -28.61 60.89 Favored 'Trans proline' 0 C--N 1.357 1.019 0 CA-C-N 124.91 2.789 . . . . 0.0 112.061 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -58.23 -48.52 80.11 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.561 1.528 . . . . 0.0 108.127 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.52 -45.84 91.13 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.354 . . . . 0.0 109.698 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -48.17 -46.85 35.13 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.886 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -63.7 1.0 Allowed 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.338 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' C ' ' SD ' ' A' ' 23' ' ' MET . . . 169.41 45.44 0.03 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.804 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -113.76 149.98 34.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.293 -172.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -97.48 -19.61 18.29 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 115.649 -2.12 . . . . 0.0 110.32 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.91 172.95 12.26 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.945 2.157 . . . . 0.0 111.514 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.84 132.82 2.21 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.52 -1.711 . . . . 0.0 111.431 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -129.9 150.18 51.3 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 115.392 -2.242 . . . . 0.0 110.0 -175.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.9 t -116.16 134.52 54.84 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 121.914 2.143 . . . . 0.0 108.98 170.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.401 ' N ' ' SD ' ' A' ' 29' ' ' MET . 4.0 mpp? -130.12 159.81 35.67 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 117.596 -1.193 . . . . 0.0 108.357 175.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.7 t30 46.57 -100.77 0.06 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.907 -1.521 . . . . 0.0 109.18 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.73 17.93 3.02 Favored Glycine 0 C--N 1.357 1.706 0 CA-C-O 115.526 -2.819 . . . . 0.0 113.868 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -127.52 154.13 45.51 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 122.055 2.928 . . . . 0.0 109.025 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m -103.61 155.14 18.77 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.672 1.232 . . . . 0.0 109.585 -173.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -128.27 112.23 14.24 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.0 m -98.32 128.24 44.65 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 m -115.55 109.34 45.97 Favored Pre-proline 0 C--N 1.355 0.811 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.243 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 162.66 39.35 Favored 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 120.333 1.155 . . . . 0.0 110.731 -165.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 177.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.63 136.92 56.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.18 109.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -91.18 84.25 5.65 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -173.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.57 145.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.15 97.66 1.23 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.181 1.355 . . . . 0.0 107.44 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.73 169.54 14.16 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 119.881 1.219 . . . . 0.0 109.325 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -123.94 -49.86 1.84 Allowed 'General case' 0 C--N 1.357 0.922 0 O-C-N 124.384 1.053 . . . . 0.0 110.659 165.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -118.34 131.35 71.37 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 123.081 1.419 . . . . 0.0 112.181 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -57.55 -29.93 64.81 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.221 -1.549 . . . . 0.0 108.305 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -45.32 95.13 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.66 1.573 . . . . 0.0 110.334 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.79 -20.66 65.22 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.138 -1.887 . . . . 0.0 112.17 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.5 m -87.1 -14.11 42.29 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.814 1.643 . . . . 0.0 113.831 167.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.8 tm? -66.38 -54.36 25.29 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -42.96 -60.56 2.26 Favored Pre-proline 0 C--N 1.355 0.816 0 CA-C-N 120.941 1.701 . . . . 0.0 113.303 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.84 -33.53 33.44 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 125.375 2.955 . . . . 0.0 111.61 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.097 1.317 . . . . 0.0 110.625 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -35.9 57.76 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 121.716 2.053 . . . . 0.0 109.259 177.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -52.49 -45.56 66.22 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 120.526 1.512 . . . . 0.0 108.606 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.09 25.25 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.256 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.22 60.96 0.07 OUTLIER Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -101.87 152.77 20.51 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ttp-105 -86.43 -35.29 19.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 115.496 -2.193 . . . . 0.0 107.073 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -126.2 157.42 38.25 Favored 'General case' 0 C--N 1.37 1.458 0 CA-C-N 120.69 1.587 . . . . 0.0 111.373 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.85 112.08 0.76 Allowed Glycine 0 C--N 1.361 1.937 0 CA-C-O 116.43 -2.317 . . . . 0.0 111.043 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -133.36 148.07 51.83 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 120.867 2.334 . . . . 0.0 110.151 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -117.48 147.08 43.06 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 162.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' GLY . 83.0 mtp -114.91 128.0 56.03 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 167.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -36.96 91.88 0.0 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.972 1.42 . . . . 0.0 111.055 -168.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 150.62 -74.63 0.26 Allowed Glycine 0 C--N 1.353 1.512 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.032 1.416 . . . . 0.0 110.862 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.6 m -98.98 138.01 36.7 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.909 0.756 . . . . 0.0 111.155 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -135.64 118.49 16.21 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-O 117.637 -1.173 . . . . 0.0 108.599 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.6 m -119.98 162.54 19.04 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.265 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -115.56 134.2 22.67 Favored Pre-proline 0 C--N 1.361 1.074 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.928 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.74 162.81 40.21 Favored 'Trans proline' 0 C--N 1.362 1.267 0 CA-C-N 121.857 1.699 . . . . 0.0 110.776 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? . . . . . 0 CA--C 1.505 -0.763 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 170.235 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 3' ' ' ILE . 2.0 mp -92.52 149.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.33 135.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -99.72 70.65 1.66 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.949 0.795 . . . . 0.0 108.864 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -114.96 145.52 20.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.928 -1.035 . . . . 0.0 108.585 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.44 94.48 0.74 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 p -82.28 165.62 20.24 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 120.099 1.318 . . . . 0.0 109.248 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -123.71 -51.3 1.82 Allowed 'General case' 0 C--N 1.357 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 110.122 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.57 132.26 69.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 CA-C-O 123.366 1.555 . . . . 0.0 112.71 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -54.9 -33.94 62.57 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.981 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.2 -39.88 95.9 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.709 1.595 . . . . 0.0 111.523 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.47 -24.34 62.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.147 -1.883 . . . . 0.0 111.98 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.62 -17.31 36.54 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.832 1.651 . . . . 0.0 113.384 168.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.76 -41.31 75.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.933 -1.508 . . . . 0.0 108.05 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -54.77 -59.69 9.9 Favored Pre-proline 0 C--N 1.355 0.817 0 CA-C-N 121.999 2.181 . . . . 0.0 112.448 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.89 -33.35 52.81 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 125.09 2.854 . . . . 0.0 111.763 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.07 -35.82 74.01 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.943 1.247 . . . . 0.0 109.308 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -69.61 -44.11 71.38 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.429 1.468 . . . . 0.0 110.539 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -51.59 -44.93 62.98 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.699 1.59 . . . . 0.0 109.501 -172.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.23 36.62 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.472 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.81 61.23 0.06 OUTLIER Glycine 0 C--N 1.356 1.655 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -102.49 150.56 23.26 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 118.884 -0.579 . . . . 0.0 110.996 -176.422 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -75.07 -38.9 61.16 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 116.562 -1.685 . . . . 0.0 107.502 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -135.83 153.43 51.5 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.126 1.33 . . . . 0.0 113.195 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 106.97 0.67 Allowed Glycine 0 C--N 1.36 1.91 0 CA-C-O 116.884 -2.064 . . . . 0.0 108.247 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.69 131.32 43.0 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 114.68 -2.581 . . . . 0.0 107.714 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -110.09 142.29 41.75 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 122.522 2.419 . . . . 0.0 106.997 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 94.4 mtp -113.78 134.57 54.69 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 171.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -40.5 94.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.76 1.288 . . . . 0.0 111.036 -169.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.27 -70.51 0.34 Allowed Glycine 0 C--N 1.355 1.608 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -129.09 156.71 43.44 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.324 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 39.6 m -98.04 135.53 39.6 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.431 1.014 . . . . 0.0 110.018 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -126.48 108.28 11.03 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -114.07 163.12 15.6 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.402 -1.285 . . . . 0.0 109.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -127.73 135.77 27.97 Favored Pre-proline 0 C--N 1.361 1.087 0 CA-C-O 115.548 -2.168 . . . . 0.0 108.06 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.83 162.84 40.75 Favored 'Trans proline' 0 C--N 1.365 1.421 0 CA-C-N 121.032 1.404 . . . . 0.0 110.648 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 174.284 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mm -108.07 145.89 14.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.1 pt -139.27 119.89 14.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 173.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -92.88 78.87 4.69 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -172.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.69 138.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.702 -176.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 103.57 0.46 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 14.1 p -90.3 160.91 15.9 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 121.183 1.811 . . . . 0.0 107.197 175.759 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -122.56 -31.39 3.76 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.151 159.593 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -126.74 136.46 60.75 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.801 1.762 . . . . 0.0 113.159 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.1 p -60.32 -30.93 69.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.358 -1.464 . . . . 0.0 108.429 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.75 1.614 . . . . 0.0 111.432 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.88 -27.52 65.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 116.368 -1.777 . . . . 0.0 111.367 -175.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -83.72 -21.55 32.28 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.471 1.487 . . . . 0.0 113.344 170.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.48 -35.84 82.1 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.255 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 -64.19 2.13 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-N 122.262 2.301 . . . . 0.0 111.967 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.98 -27.35 58.14 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 124.819 2.757 . . . . 0.0 112.14 -176.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.8 m -59.62 -43.62 93.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.364 1.438 . . . . 0.0 107.92 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.98 -48.01 82.25 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.955 -1.716 . . . . 0.0 108.894 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -52.23 -47.53 65.63 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.593 -176.276 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.99 62.89 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.128 -179.318 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 53.76 0.03 OUTLIER Glycine 0 C--N 1.353 1.492 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.65 137.64 50.62 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.541 -0.743 . . . . 0.0 110.524 -168.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -26.89 51.11 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 116.306 -1.807 . . . . 0.0 108.175 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -140.17 165.49 27.24 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-N 120.685 1.584 . . . . 0.0 112.837 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.99 2.85 Favored Glycine 0 C--N 1.358 1.798 0 CA-C-O 117.258 -1.857 . . . . 0.0 108.513 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -131.74 129.53 40.74 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 115.488 -2.196 . . . . 0.0 107.482 -176.673 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.2 t -112.35 144.0 42.51 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 121.507 1.958 . . . . 0.0 107.104 169.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ASN . 14.8 mmt -113.87 119.01 35.83 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 170.638 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' MET . 7.2 t30 -29.01 90.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 125.289 1.618 . . . . 0.0 111.738 -173.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.27 -75.26 0.27 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.37 158.14 31.76 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 118.79 1.295 . . . . 0.0 109.826 -175.769 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.6 m -104.02 153.47 20.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 124.296 0.998 . . . . 0.0 111.253 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -130.22 121.74 26.77 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 -178.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.5 m -103.41 138.14 40.56 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.3 m -112.89 106.75 55.05 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.096 -169.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -70.55 150.18 63.03 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.519 1.479 . . . . 0.0 111.444 -169.714 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.357 0.932 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.506 176.928 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 CA--C 1.514 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.11 144.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.2 pt -130.07 143.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -97.87 76.65 2.45 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -127.86 120.15 53.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.947 -174.035 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -44.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.647 170.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.1 p -84.61 165.08 18.26 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 120.367 1.439 . . . . 0.0 108.505 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -120.81 -48.99 2.24 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.66 1.225 . . . . 0.0 109.397 167.394 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -122.24 139.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.366 1.317 0 CA-C-O 123.716 1.722 . . . . 0.0 113.091 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -62.09 -28.58 69.72 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.64 -177.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -39.3 90.78 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.282 1.855 . . . . 0.0 110.974 176.555 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.23 -26.33 63.8 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 115.721 -2.085 . . . . 0.0 111.644 -175.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -84.11 -21.56 31.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.174 1.807 . . . . 0.0 113.257 168.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.902 1.228 . . . . 0.0 107.733 175.12 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.16 -62.97 4.2 Favored Pre-proline 0 C--N 1.354 0.8 0 CA-C-O 116.328 -1.796 . . . . 0.0 112.451 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.35 -27.52 47.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 CA-C-N 125.073 2.848 . . . . 0.0 112.413 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.1 m -56.98 -43.77 82.0 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.552 1.524 . . . . 0.0 107.721 176.053 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -63.91 -50.28 69.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.842 -1.161 . . . . 0.0 108.602 178.638 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -44.85 -50.26 10.41 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.209 -175.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -56.29 14.09 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.546 -177.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.25 54.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.485 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.984 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.68 148.0 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.219 -174.244 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -92.63 -17.45 24.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 115.895 -2.002 . . . . 0.0 109.631 175.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.44 162.42 34.5 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 121.571 1.987 . . . . 0.0 113.204 172.438 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.03 119.49 1.54 Allowed Glycine 0 C--N 1.36 1.864 0 CA-C-O 117.319 -1.823 . . . . 0.0 109.182 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -133.51 126.69 31.62 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.326 -2.273 . . . . 0.0 107.809 -175.037 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 26.0 t -110.76 140.57 45.05 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 121.758 2.072 . . . . 0.0 106.851 172.068 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 31' ' ' GLY . 26.2 mmt -111.79 131.58 55.24 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.329 -2.471 . . . . 0.0 104.329 171.49 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -37.32 92.36 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.145 1.528 . . . . 0.0 111.534 -170.392 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.97 -71.65 0.33 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -178.458 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -123.72 158.18 32.23 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 116.841 -1.552 . . . . 0.0 109.141 -171.517 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 13.6 m -105.0 149.34 25.85 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.425 1.011 . . . . 0.0 110.286 -177.264 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -122.85 116.98 24.57 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.49 130.5 46.58 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 177.412 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.4 m -109.79 104.58 55.76 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.446 -1.74 . . . . 0.0 108.083 -169.398 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.03 158.57 56.16 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 120.621 1.257 . . . . 0.0 111.176 -167.14 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.355 0.836 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.93 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 116.434 -1.746 . . . . 0.0 106.703 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.9 142.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.66 136.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 172.304 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -93.56 72.33 4.34 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -168.847 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -112.37 134.09 56.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.779 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -63.27 86.86 0.03 OUTLIER 'General case' 0 C--N 1.358 0.944 0 CA-C-N 119.658 1.117 . . . . 0.0 108.354 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -81.3 158.23 24.83 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -115.85 -42.04 3.14 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.523 1.139 . . . . 0.0 110.621 165.37 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -121.44 138.36 52.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 CA-C-O 123.52 1.629 . . . . 0.0 112.322 -176.25 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -32.96 67.35 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.511 -1.368 . . . . 0.0 109.374 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.14 90.0 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.437 1.017 . . . . 0.0 111.279 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.36 -22.04 61.21 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.9 m -79.06 -24.13 43.77 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.895 1.68 . . . . 0.0 112.362 166.666 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.12 -51.4 64.13 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 2.5 mp0 -45.6 -62.2 1.91 Allowed Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 121.656 2.025 . . . . 0.0 113.192 -175.015 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.19 -30.6 82.13 Favored 'Trans proline' 0 C--N 1.355 0.894 0 CA-C-N 125.121 2.865 . . . . 0.0 111.316 -178.124 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.7 -43.96 93.87 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.503 1.501 . . . . 0.0 110.449 177.457 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -37.47 68.65 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.671 1.578 . . . . 0.0 110.299 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.41 -46.42 83.53 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.201 0.909 . . . . 0.0 108.701 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.79 24.57 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.892 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.57 55.92 0.02 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-N 118.328 0.513 . . . . 0.0 112.041 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.39 152.08 24.66 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.975 -0.536 . . . . 0.0 112.077 -174.043 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.478 HH21 ' HE3' ' A' ' 38' ' ' LYS . 44.2 ttm180 -84.29 -32.73 24.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.319 -1.801 . . . . 0.0 108.712 173.543 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -139.42 168.73 19.17 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-N 121.047 1.749 . . . . 0.0 112.493 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.41 126.64 2.97 Favored Glycine 0 C--N 1.359 1.806 0 CA-C-O 117.714 -1.603 . . . . 0.0 109.819 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tppp? -129.51 131.78 46.71 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 115.111 -2.376 . . . . 0.0 105.275 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 7.6 t -114.85 147.4 39.93 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 122.611 2.459 . . . . 0.0 106.014 169.332 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' GLY . 50.0 mtm -117.84 137.09 53.0 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 170.137 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -44.36 92.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.771 1.295 . . . . 0.0 109.921 -168.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 152.76 -74.12 0.25 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 -173.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 57.2 mtmt -126.72 153.07 45.97 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.177 1.489 . . . . 0.0 111.668 -171.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.55 149.86 24.08 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -125.6 113.05 16.89 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 173.343 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -99.38 133.91 43.01 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -112.64 101.38 52.65 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 116.466 -1.73 . . . . 0.0 107.385 -170.106 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.61 159.2 54.56 Favored 'Trans proline' 0 C--N 1.364 1.361 0 CA-C-N 121.005 1.395 . . . . 0.0 111.55 -166.422 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HE3' HH21 ' A' ' 24' ' ' ARG . 87.8 tttt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.186 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.13 143.04 13.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.5 pt -131.25 130.15 63.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 169.242 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -94.25 78.45 3.97 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -170.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.4 t -126.58 132.19 70.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.302 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 97.28 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.9 p -88.53 169.17 11.97 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 121.291 1.86 . . . . 0.0 108.432 179.069 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.63 -53.73 1.77 Allowed 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.732 1.27 . . . . 0.0 107.751 164.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -117.87 144.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-O 124.335 2.017 . . . . 0.0 114.813 -177.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -59.19 -35.23 73.22 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.586 -177.752 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -64.19 -39.58 94.28 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.331 1.423 . . . . 0.0 111.266 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.27 -26.76 65.82 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 121.199 1.818 . . . . 0.0 111.175 -174.692 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -85.14 -17.79 36.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.345 1.43 . . . . 0.0 113.679 168.138 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.3 -46.03 78.33 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.012 178.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.31 -60.81 4.58 Favored Pre-proline 0 C--N 1.356 0.853 0 CA-C-N 121.322 1.874 . . . . 0.0 111.94 -179.238 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.1 -26.62 57.67 Favored 'Trans proline' 0 C--N 1.357 1.003 0 CA-C-N 124.843 2.765 . . . . 0.0 112.105 -177.361 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -60.7 -40.93 94.05 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.965 1.712 . . . . 0.0 108.613 174.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.18 -44.73 78.93 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.967 -1.708 . . . . 0.0 108.69 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -47.59 -51.08 22.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.795 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.66 64.92 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.843 -176.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.22 58.32 0.05 OUTLIER Glycine 0 C--N 1.352 1.456 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 mmt -118.06 137.67 52.75 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.433 -172.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.81 -30.75 59.13 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 115.762 -2.065 . . . . 0.0 108.153 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -131.69 165.32 23.98 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.528 1.967 . . . . 0.0 112.996 -177.239 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.25 122.92 2.29 Favored Glycine 0 C--N 1.359 1.824 0 CA-C-O 117.389 -1.784 . . . . 0.0 109.55 -177.465 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -132.31 132.33 42.86 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.043 -178.782 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.0 t -111.59 141.31 45.34 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 166.02 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -112.43 126.3 55.15 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 170.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -34.63 90.74 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 O-C-N 125.176 1.548 . . . . 0.0 111.907 -170.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.48 -72.38 0.31 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -178.031 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.88 161.52 22.64 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.219 -175.342 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.8 m -107.77 152.84 23.82 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.332 1.02 . . . . 0.0 110.644 -177.302 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -131.94 117.96 19.14 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.1 138.96 38.36 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.087 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -112.02 103.32 55.18 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 116.701 -1.619 . . . . 0.0 109.307 -168.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.16 162.06 31.84 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.467 1.445 . . . . 0.0 114.191 -164.363 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 C--N 1.356 0.88 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.867 169.121 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 CA--C 1.511 -0.524 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.3 143.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-O 116.608 -1.663 . . . . 0.0 106.736 -176.411 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -137.3 138.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 120.306 1.412 . . . . 0.0 107.531 172.261 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.47 62.24 0.93 Allowed 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.038 0.835 . . . . 0.0 109.05 -171.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.45 140.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 117.803 -1.094 . . . . 0.0 109.839 -176.297 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -72.13 95.78 1.69 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.48 165.09 17.43 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 118.971 0.805 . . . . 0.0 109.968 -176.725 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -119.5 -49.4 2.36 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.485 1.116 . . . . 0.0 108.894 164.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 pt -122.03 138.61 51.7 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 CA-C-O 123.786 1.755 . . . . 0.0 113.574 -179.567 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -55.54 -36.11 66.42 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.757 -1.214 . . . . 0.0 108.273 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -61.06 -40.37 93.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.98 1.264 . . . . 0.0 111.939 178.255 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -70.06 -25.7 63.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 121.023 1.738 . . . . 0.0 111.266 -175.055 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.95 -22.37 33.79 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.432 1.469 . . . . 0.0 113.049 169.354 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.38 -39.05 88.84 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.537 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.03 -63.29 2.47 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-N 122.163 2.256 . . . . 0.0 112.078 178.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.53 -26.27 40.38 Favored 'Trans proline' 0 C--N 1.356 0.961 0 CA-C-N 124.82 2.757 . . . . 0.0 112.767 -176.004 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -58.15 -42.16 85.32 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.111 1.778 . . . . 0.0 106.907 173.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -63.17 -55.62 23.6 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.089 -1.632 . . . . 0.0 107.706 -178.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -51.84 -38.12 54.64 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.09 0.859 . . . . 0.0 111.676 -171.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.13 -57.95 7.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.97 52.2 0.01 OUTLIER Glycine 0 C--N 1.352 1.453 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.142 176.133 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mmt -117.38 137.0 52.76 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.705 -171.087 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -74.99 -32.21 61.6 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 115.885 -2.007 . . . . 0.0 107.749 176.807 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -135.31 170.0 16.61 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-N 121.371 1.896 . . . . 0.0 112.911 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.36 130.43 2.33 Favored Glycine 0 C--N 1.358 1.799 0 CA-C-O 117.368 -1.796 . . . . 0.0 112.392 175.44 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.29 146.18 44.37 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 115.808 -2.044 . . . . 0.0 108.923 -171.015 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.93 134.83 54.57 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 121.797 2.09 . . . . 0.0 109.477 170.572 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 57.8 mtt -126.77 159.52 33.55 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.213 -1.375 . . . . 0.0 108.209 173.421 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.2 t30 47.65 -102.82 0.09 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 116.872 -1.537 . . . . 0.0 108.208 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.84 23.89 2.45 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-O 116.333 -2.37 . . . . 0.0 112.895 171.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -125.23 151.6 45.68 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.764 2.282 . . . . 0.0 107.82 -177.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 m -105.96 157.04 17.78 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.21 0.944 . . . . 0.0 111.046 -173.002 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -130.76 117.53 19.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -175.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.1 m -102.49 130.02 49.18 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 178.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.5 m -112.0 105.37 56.43 Favored Pre-proline 0 C--N 1.359 0.992 0 CA-C-O 116.241 -1.838 . . . . 0.0 109.241 -169.02 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.97 157.61 34.51 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 122.016 1.811 . . . . 0.0 112.715 -166.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tttt . . . . . 0 C--N 1.357 0.902 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.813 173.199 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 CA--C 1.513 -0.446 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.1 mp -103.83 149.62 7.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 178.873 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.9 pt -131.08 144.54 37.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -102.66 71.25 1.17 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -172.802 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -118.93 140.99 40.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.454 -177.089 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.69 94.18 0.09 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.565 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 p -83.4 164.1 20.16 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 119.733 1.151 . . . . 0.0 108.012 177.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -125.06 -47.62 1.77 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.301 1.001 . . . . 0.0 110.874 168.59 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -118.41 131.39 71.32 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 123.262 1.506 . . . . 0.0 111.961 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -55.55 -32.31 62.88 Favored 'General case' 0 CA--C 1.505 -0.759 0 O-C-N 120.57 -1.331 . . . . 0.0 108.888 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.49 -39.37 93.26 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.492 1.496 . . . . 0.0 111.509 176.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.32 -23.63 61.19 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.72 -2.086 . . . . 0.0 112.442 -176.769 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -83.99 -19.4 34.61 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 121.44 1.927 . . . . 0.0 112.799 166.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.42 -37.92 83.79 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.631 -1.652 . . . . 0.0 107.814 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -62.54 4.64 Favored Pre-proline 0 C--N 1.356 0.875 0 CA-C-N 122.732 2.514 . . . . 0.0 112.853 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.86 -29.51 50.04 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 124.921 2.793 . . . . 0.0 111.438 -176.311 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.35 -32.45 72.35 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.295 1.407 . . . . 0.0 109.957 175.242 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.71 -45.45 71.52 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.472 1.487 . . . . 0.0 108.884 176.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.673 0.669 . . . . 0.0 109.485 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.86 77.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.22 60.96 0.45 Allowed Glycine 0 C--N 1.354 1.55 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mmt -108.31 144.07 36.33 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.593 -174.471 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -80.33 -29.06 38.02 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.071 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -128.36 154.2 46.24 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 120.342 1.428 . . . . 0.0 111.473 176.121 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.63 92.72 0.17 Allowed Glycine 0 C--N 1.36 1.908 0 CA-C-O 117.335 -1.814 . . . . 0.0 108.832 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -128.93 152.36 48.65 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.44 -1.743 . . . . 0.0 108.991 -177.025 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -116.16 149.74 38.57 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 120.038 1.29 . . . . 0.0 107.949 171.465 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' GLY . 24.2 mmt -111.7 135.32 52.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 167.531 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -42.93 92.31 0.01 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.737 1.153 . . . . 0.0 111.404 -170.036 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.52 -67.8 0.4 Allowed Glycine 0 C--N 1.355 1.606 0 CA-C-O 118.24 -1.311 . . . . 0.0 109.909 -178.105 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -127.68 156.2 42.73 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 116.106 -1.902 . . . . 0.0 109.892 -171.202 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.8 m -99.97 142.56 31.28 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 120.25 1.386 . . . . 0.0 111.888 -176.589 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -128.6 106.51 9.01 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -174.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.7 m -115.34 158.91 21.73 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.533 176.382 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -128.34 136.62 29.36 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-O 115.37 -2.252 . . . . 0.0 109.173 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.07 164.81 33.46 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.694 1.641 . . . . 0.0 112.643 -170.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.357 0.905 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.376 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 CA--C 1.511 -0.556 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.6 mp -96.99 144.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 179.581 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.18 141.49 45.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 174.705 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -101.47 67.04 1.12 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.964 0.802 . . . . 0.0 109.103 -172.283 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -111.39 143.27 21.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.485 -1.245 . . . . 0.0 109.233 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -72.49 84.07 1.11 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.9 p -86.92 159.16 19.13 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.404 -179.08 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -122.14 -47.26 2.15 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.711 -1.138 . . . . 0.0 111.128 175.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.58 145.17 26.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.326 0 CA-C-O 123.747 1.737 . . . . 0.0 113.703 -176.697 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -59.25 -40.99 87.74 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.868 -175.797 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 3.2 tmt_? -65.94 -34.69 78.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.242 -178.402 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.22 -26.79 64.03 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.535 1.97 . . . . 0.0 110.94 -178.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -84.36 -16.61 42.23 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.883 1.674 . . . . 0.0 113.32 168.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.84 -36.74 84.31 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.692 -1.623 . . . . 0.0 107.103 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -56.69 -59.04 13.52 Favored Pre-proline 0 C--N 1.355 0.809 0 CA-C-N 122.237 2.289 . . . . 0.0 113.931 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.76 -29.9 41.9 Favored 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 125.704 3.073 . . . . 0.0 112.298 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.24 -52.66 57.64 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.657 1.571 . . . . 0.0 109.14 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -35.82 80.07 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.283 -1.511 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.17 -48.6 81.05 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.774 0.715 . . . . 0.0 109.922 -175.509 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.98 9.86 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.106 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.04 51.29 0.01 OUTLIER Glycine 0 C--N 1.353 1.499 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.573 176.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.55 157.92 18.04 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.61 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -97.37 -22.41 16.64 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 116.243 -1.836 . . . . 0.0 110.275 175.763 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.26 168.1 25.03 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 121.834 2.106 . . . . 0.0 112.312 171.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.99 150.98 20.88 Favored Glycine 0 C--N 1.359 1.849 0 CA-C-O 117.68 -1.622 . . . . 0.0 113.314 170.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -136.57 159.26 42.35 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 118.879 1.34 . . . . 0.0 110.851 -172.63 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -117.87 109.87 17.06 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.103 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -120.79 149.07 43.13 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.528 -1.701 . . . . 0.0 108.054 -175.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 t30 48.61 -111.47 0.44 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.344 -1.789 . . . . 0.0 107.495 -176.313 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.8 17.93 4.89 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 116.933 -2.037 . . . . 0.0 112.467 172.293 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -118.9 167.23 11.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 120.671 2.236 . . . . 0.0 106.459 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.5 m -117.4 159.13 23.27 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.597 1.09 . . . . 0.0 110.399 179.081 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -127.16 116.34 20.49 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -177.627 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.0 m -103.17 122.17 44.17 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 176.305 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 p -107.34 116.0 58.73 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 115.888 -2.006 . . . . 0.0 105.879 -173.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.82 167.24 27.76 Favored 'Trans proline' 0 C--N 1.363 1.312 0 CA-C-N 121.328 1.51 . . . . 0.0 111.772 -166.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HG2' ' OXT' ' A' ' 38' ' ' LYS . 87.1 tttt . . . . . 0 C--N 1.354 0.78 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.327 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.513 -0.443 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.1 mt -86.22 146.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 pt -128.65 139.74 51.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 120.092 1.315 . . . . 0.0 107.895 174.373 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -104.46 69.26 0.9 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 119.109 0.868 . . . . 0.0 109.002 -173.041 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -112.54 145.47 18.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.575 -177.737 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -69.39 88.04 0.46 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 176.223 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -86.92 152.42 22.45 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.343 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -45.18 2.96 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.587 1.179 . . . . 0.0 109.455 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -125.96 145.18 33.84 Favored 'Isoleucine or valine' 0 C--N 1.37 1.499 0 CA-C-O 124.172 1.939 . . . . 0.0 114.252 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.6 p -60.66 -34.66 74.63 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 120.536 -1.352 . . . . 0.0 109.143 -178.556 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.36 98.41 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.163 1.347 . . . . 0.0 110.084 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.5 -27.83 67.33 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.418 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.22 -18.05 43.93 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.306 1.412 . . . . 0.0 113.691 168.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -67.61 -43.45 80.42 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.168 -1.873 . . . . 0.0 107.974 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.295 26.6 mp0 -52.61 -61.61 4.41 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 122.883 2.583 . . . . 0.0 112.37 178.559 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.69 -28.14 44.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 CA-C-N 124.48 2.636 . . . . 0.0 112.705 -174.404 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -62.61 -44.94 95.04 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.583 1.538 . . . . 0.0 107.228 176.557 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.06 -46.5 90.44 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.815 -1.803 . . . . 0.0 108.83 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -49.03 -49.76 39.56 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.24 -177.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.36 42.69 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.519 -178.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.76 52.6 0.02 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 177.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.1 mmt -114.34 143.14 45.37 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.583 -168.198 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -22.16 24.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -176.114 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -148.88 170.03 19.2 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 121.838 2.108 . . . . 0.0 112.967 172.306 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.89 149.59 19.27 Favored Glycine 0 C--N 1.361 1.972 0 CA-C-O 117.686 -1.619 . . . . 0.0 113.331 169.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -136.42 159.03 43.01 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 117.21 -1.376 . . . . 0.0 110.659 -171.388 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.4 t -116.89 109.77 17.48 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.239 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -117.68 145.04 44.68 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 107.795 -175.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 49.19 -111.19 0.45 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.292 -1.814 . . . . 0.0 107.515 -176.143 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.41 18.95 4.88 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.945 -2.031 . . . . 0.0 112.567 173.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -122.03 166.05 15.09 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.717 2.258 . . . . 0.0 106.757 178.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.49 160.55 20.44 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.12 0.873 . . . . 0.0 110.503 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -129.62 121.59 27.36 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -177.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -105.83 127.92 53.41 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.593 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -115.26 117.32 41.23 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.54 -2.172 . . . . 0.0 108.998 -170.527 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.34 155.4 51.15 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.71 1.607 . . . . 0.0 112.948 -168.107 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? . . . . . 0 C--N 1.358 0.958 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 171.569 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.53 140.69 17.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 pt -142.24 117.58 5.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.252 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -88.7 89.84 8.16 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.769 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.5 142.05 43.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -65.89 91.18 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -177.41 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -82.42 163.34 21.72 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.667 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.15 -44.31 2.5 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.75 1.282 . . . . 0.0 110.143 165.326 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.62 142.55 39.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.423 1.583 . . . . 0.0 112.995 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -62.11 -28.98 70.01 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.952 -1.718 . . . . 0.0 110.016 -178.853 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -40.19 96.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 120.242 1.383 . . . . 0.0 109.187 176.891 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -74.18 -22.5 59.38 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 121.015 1.734 . . . . 0.0 111.973 -176.668 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -76.23 -27.81 56.93 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.755 1.616 . . . . 0.0 111.498 167.252 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 tp -66.36 -39.17 88.99 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-O 115.456 -2.211 . . . . 0.0 109.087 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 10.8 mp0 -46.07 -68.15 0.32 Allowed Pre-proline 0 C--N 1.359 0.986 0 CA-C-N 124.108 3.14 . . . . 0.0 112.047 176.18 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.48 -28.87 45.46 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 124.507 2.645 . . . . 0.0 112.522 -174.587 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.3 m -58.71 -50.22 74.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.692 1.587 . . . . 0.0 108.434 178.789 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.77 -46.28 90.24 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.181 -0.95 . . . . 0.0 109.091 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -53.68 -46.4 70.65 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.688 -172.441 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.27 6.5 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.66 52.42 0.01 OUTLIER Glycine 0 C--N 1.354 1.536 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.447 178.054 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.26 149.69 28.28 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.151 -173.934 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -86.86 -29.69 22.01 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 115.035 -2.412 . . . . 0.0 107.572 173.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.44 157.1 43.54 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 121.918 2.145 . . . . 0.0 112.951 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.05 118.16 1.78 Allowed Glycine 0 C--N 1.361 1.942 0 CA-C-O 117.271 -1.849 . . . . 0.0 109.169 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -136.17 145.63 45.98 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 115.374 -2.25 . . . . 0.0 109.324 -173.534 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -124.41 154.59 40.19 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.514 2.416 . . . . 0.0 109.099 169.744 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.02 134.14 55.05 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 164.029 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -46.46 93.82 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 CA-C-N 120.037 1.289 . . . . 0.0 109.583 -171.333 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.36 -73.07 0.28 Allowed Glycine 0 C--N 1.353 1.51 0 N-CA-C 108.764 -1.735 . . . . 0.0 108.764 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -122.07 148.34 44.98 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.05 1.425 . . . . 0.0 112.137 -173.84 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.1 m -83.18 151.39 25.71 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.31 115.51 17.04 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 174.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.3 m -102.6 140.91 36.26 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 175.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.1 m -123.96 113.63 28.29 Favored Pre-proline 0 C--N 1.359 0.997 0 CA-C-O 116.634 -1.651 . . . . 0.0 108.066 -174.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.08 162.75 41.59 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 120.732 1.297 . . . . 0.0 111.763 -163.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.356 0.864 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.494 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t . . . . . 0 CA--C 1.513 -0.477 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.8 mm -75.49 146.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 177.617 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.33 137.92 45.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 171.126 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -100.1 69.7 1.52 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -170.732 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -123.78 138.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.334 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 99.59 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.498 -1.239 . . . . 0.0 108.34 178.401 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -86.52 162.46 18.04 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 121.218 1.826 . . . . 0.0 107.863 177.169 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -55.11 1.53 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 164.833 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -107.72 123.05 62.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 CA-C-O 123.117 1.436 . . . . 0.0 111.339 -178.188 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -51.0 -30.69 15.83 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.287 -1.508 . . . . 0.0 109.627 177.399 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.79 98.35 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.522 1.51 . . . . 0.0 111.307 177.627 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.33 -24.72 64.86 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 116.196 -1.859 . . . . 0.0 112.051 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.07 -18.86 41.64 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.741 1.609 . . . . 0.0 112.8 168.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -47.63 76.55 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.856 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.252 1.0 OUTLIER -44.73 -64.23 0.91 Allowed Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 121.728 2.058 . . . . 0.0 113.218 -176.669 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 -30.68 56.53 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 124.728 2.724 . . . . 0.0 112.089 -177.092 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.21 -44.54 79.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.629 1.559 . . . . 0.0 108.657 176.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -67.61 -45.97 73.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -178.501 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -51.19 -50.53 58.85 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.725 0.693 . . . . 0.0 110.049 -176.467 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -54.59 44.26 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.801 -177.428 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.58 53.49 0.02 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 121.229 -0.51 . . . . 0.0 111.948 177.898 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.35 145.45 32.84 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.462 -174.041 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -88.86 -25.48 22.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.393 -2.241 . . . . 0.0 107.255 175.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -137.86 170.99 15.1 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-N 121.329 1.877 . . . . 0.0 111.263 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.77 135.59 4.08 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.273 -1.293 . . . . 0.0 111.556 174.126 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -133.06 143.5 49.4 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 115.367 -2.254 . . . . 0.0 106.724 -174.437 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.255 37.1 t -109.03 140.67 42.25 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 121.894 2.134 . . . . 0.0 105.775 168.928 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASN . 69.4 mtp -113.41 104.35 12.2 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 174.87 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' MET . 41.9 t30 -17.65 89.2 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.025 1.453 . . . . 0.0 114.044 -171.521 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.49 -70.21 0.42 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.476 -1.85 . . . . 0.0 108.476 178.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -110.38 157.61 19.35 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 116.615 -1.659 . . . . 0.0 108.073 -177.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.7 m -106.21 155.27 19.64 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.594 1.088 . . . . 0.0 110.162 177.374 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -126.52 114.57 18.3 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.3 133.34 44.85 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 177.04 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -116.31 104.69 51.65 Favored Pre-proline 0 C--N 1.357 0.931 0 CA-C-O 116.726 -1.607 . . . . 0.0 108.55 -168.477 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.33 158.1 58.99 Favored 'Trans proline' 0 C--N 1.365 1.411 0 CA-C-N 120.569 1.239 . . . . 0.0 110.689 -166.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--N 1.355 0.835 0 C-N-CA 118.13 -1.428 . . . . 0.0 108.815 177.047 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.912 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.5 t -138.16 102.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.467 1.634 . . . . 0.0 106.768 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mm -93.68 149.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 pt -135.83 140.04 44.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -101.26 73.02 1.47 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -170.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.47 141.72 39.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.473 -1.251 . . . . 0.0 109.737 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -65.11 96.24 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -83.93 165.05 19.0 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -124.91 -47.75 1.79 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.403 1.064 . . . . 0.0 110.415 167.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt -118.24 134.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 CA-C-O 123.351 1.548 . . . . 0.0 112.33 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -58.63 -29.35 66.45 Favored 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 120.664 -1.273 . . . . 0.0 108.797 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -36.24 82.25 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.7 1.591 . . . . 0.0 111.849 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -72.21 -25.19 61.56 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 115.895 -2.003 . . . . 0.0 111.749 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.3 m -84.18 -17.81 38.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 121.252 1.842 . . . . 0.0 113.085 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -42.14 86.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 116.884 -1.531 . . . . 0.0 107.571 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -61.15 6.82 Favored Pre-proline 0 C--N 1.355 0.819 0 CA-C-N 121.747 2.067 . . . . 0.0 112.903 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.92 -28.89 58.18 Favored 'Trans proline' 0 C--N 1.357 1.005 0 CA-C-N 124.971 2.811 . . . . 0.0 111.505 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.15 -34.44 76.4 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.185 1.357 . . . . 0.0 109.922 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -69.56 -47.85 62.26 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.699 1.591 . . . . 0.0 108.111 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.74 -48.81 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.433 0.56 . . . . 0.0 110.221 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.65 83.41 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.16 62.03 0.25 Allowed Glycine 0 C--N 1.354 1.541 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.5 mmt -108.6 143.22 37.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 117.802 -1.094 . . . . 0.0 108.572 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.34 -40.22 62.31 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.383 -1.77 . . . . 0.0 107.048 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -115.54 152.27 33.32 Favored 'General case' 0 C--N 1.365 1.245 0 CA-C-N 120.205 1.366 . . . . 0.0 111.821 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.18 0.28 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 107.753 -2.139 . . . . 0.0 107.753 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.99 136.42 50.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 114.947 -2.454 . . . . 0.0 108.434 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 16.4 t -113.38 140.93 47.64 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-N 121.906 2.139 . . . . 0.0 107.088 171.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLY . 31.8 mmt -108.48 130.61 55.26 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 103.171 -2.899 . . . . 0.0 103.171 171.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -41.12 91.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.633 1.208 . . . . 0.0 111.574 -168.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 149.73 -68.92 0.33 Allowed Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.119 -1.378 . . . . 0.0 109.783 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -125.84 157.22 38.13 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.518 -1.706 . . . . 0.0 110.17 -172.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.2 m -101.74 139.06 37.9 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 119.616 1.098 . . . . 0.0 110.743 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.6 105.5 8.52 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.8 m -114.27 156.62 24.02 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.068 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.2 p -121.84 135.15 25.01 Favored Pre-proline 0 C--N 1.36 1.059 0 CA-C-O 115.432 -2.223 . . . . 0.0 109.303 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.2 153.44 62.16 Favored 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 121.509 1.575 . . . . 0.0 110.579 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.356 0.861 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.048 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.909 0 CA-C-O 117.204 -1.887 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.2 t -144.64 134.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 119.759 1.78 . . . . 0.0 107.866 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -116.15 148.33 18.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -128.55 137.32 57.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -98.14 71.22 2.11 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.824 1.193 . . . . 0.0 108.429 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -113.7 138.87 41.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.508 -1.234 . . . . 0.0 108.555 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.86 103.34 0.7 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -88.17 168.83 12.42 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 120.161 1.346 . . . . 0.0 107.946 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -120.47 -51.44 2.18 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.302 1.001 . . . . 0.0 109.186 165.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.26 143.97 31.84 Favored 'Isoleucine or valine' 0 C--N 1.368 1.406 0 CA-C-O 124.032 1.872 . . . . 0.0 113.892 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -61.31 -33.8 74.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.468 -1.253 . . . . 0.0 108.563 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -37.91 89.18 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.516 1.507 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.01 -26.46 62.23 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 115.574 -2.155 . . . . 0.0 111.998 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.39 -21.58 33.0 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 121.538 1.972 . . . . 0.0 113.275 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.3 -34.94 79.29 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.026 -1.464 . . . . 0.0 107.506 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -57.58 -63.45 3.77 Favored Pre-proline 0 C--N 1.354 0.773 0 CA-C-N 121.785 2.084 . . . . 0.0 112.852 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.6 -30.51 51.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 124.966 2.809 . . . . 0.0 111.931 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.6 m -59.49 -39.36 83.52 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.812 1.642 . . . . 0.0 110.058 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.73 89.83 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.705 -1.247 . . . . 0.0 109.549 177.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.78 -48.59 81.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 118.927 0.785 . . . . 0.0 109.497 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.23 81.56 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.408 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.24 59.82 0.28 Allowed Glycine 0 C--N 1.354 1.547 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.9 mmt -105.17 144.12 32.4 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.729 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.43 -26.83 41.76 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.545 -1.693 . . . . 0.0 108.442 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.35 158.24 44.87 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 120.41 1.459 . . . . 0.0 112.781 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.92 101.7 0.23 Allowed Glycine 0 C--N 1.363 2.064 0 CA-C-O 116.715 -2.158 . . . . 0.0 111.572 -173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 162.7 30.21 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.399 2.099 . . . . 0.0 110.437 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.3 t -120.9 143.99 48.66 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-O 117.542 -1.218 . . . . 0.0 108.795 165.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 30.9 mmt -109.24 125.45 52.27 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 168.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -39.08 93.72 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.068 1.304 . . . . 0.0 111.243 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -73.94 0.29 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -175.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -125.86 162.05 26.04 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.012 -1.47 . . . . 0.0 110.372 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 56.2 m -103.52 145.99 29.19 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.035 0.834 . . . . 0.0 112.329 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -130.3 102.81 6.36 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.9 m -115.83 162.65 17.0 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.181 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -132.77 138.96 33.14 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.542 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.85 166.08 30.98 Favored 'Trans proline' 0 C--N 1.364 1.343 0 CA-C-N 121.777 1.67 . . . . 0.0 112.522 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? . . . . . 0 C--N 1.357 0.902 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.521 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.97 0 CA-C-O 118.103 -1.387 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.3 t -135.78 91.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.52 150.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.15 133.64 47.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -99.45 75.5 1.97 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.82 141.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.645 -1.169 . . . . 0.0 108.436 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.79 94.66 0.47 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 p -82.09 164.4 21.38 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -121.74 -39.79 2.6 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.278 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.87 137.85 56.15 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-O 123.729 1.728 . . . . 0.0 113.937 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.0 p -58.22 -34.98 71.01 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.489 -1.382 . . . . 0.0 108.745 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -62.96 -38.61 91.78 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.478 1.49 . . . . 0.0 111.495 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.79 -25.76 63.03 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.067 -1.92 . . . . 0.0 111.478 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.6 m -84.5 -17.52 38.77 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.947 1.703 . . . . 0.0 113.714 168.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.31 -42.0 80.06 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.432 -1.271 . . . . 0.0 107.987 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.63 -62.04 4.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 116.256 -1.83 . . . . 0.0 111.959 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.37 -29.94 53.85 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.803 2.751 . . . . 0.0 111.547 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.18 -48.78 78.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.163 1.347 . . . . 0.0 109.983 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -59.78 -46.98 87.51 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.75 2.068 . . . . 0.0 109.227 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -49.19 -46.47 45.6 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.105 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -60.91 2.12 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.08 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.49 53.92 0.01 OUTLIER Glycine 0 C--N 1.353 1.516 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.349 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.4 mmt -110.3 144.08 39.55 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.947 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -85.98 -31.59 21.99 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 115.633 -2.127 . . . . 0.0 109.581 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -114.93 149.37 37.38 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 121.533 1.969 . . . . 0.0 110.193 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.5 98.45 0.22 Allowed Glycine 0 C--N 1.359 1.812 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 147.51 50.22 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 115.63 -2.129 . . . . 0.0 108.084 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -115.88 143.91 44.77 Favored 'General case' 0 C--N 1.362 1.142 0 CA-C-N 121.104 1.774 . . . . 0.0 107.418 166.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 29.5 mmt -109.63 135.27 50.87 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 103.145 -2.909 . . . . 0.0 103.145 168.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -45.13 94.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.643 1.111 . . . . 0.0 110.36 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -69.47 0.35 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -176.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -131.71 159.86 37.15 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.735 -1.602 . . . . 0.0 110.383 -172.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 34.0 m -102.09 140.65 36.09 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.241 0.928 . . . . 0.0 111.347 -176.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -128.03 107.63 9.99 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -174.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.69 162.15 17.67 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.932 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -130.7 139.29 35.16 Favored Pre-proline 0 C--N 1.362 1.121 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.238 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.08 157.77 60.4 Favored 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 121.601 1.607 . . . . 0.0 111.278 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--N 1.355 0.805 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.012 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.923 0 CA-C-O 117.493 -1.726 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -136.61 95.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -87.27 152.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 140.86 45.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -102.46 66.16 0.96 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -172.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.34 143.8 21.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.219 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -76.14 92.67 3.25 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -174.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.0 167.54 19.69 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 119.715 1.143 . . . . 0.0 109.108 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -122.03 -46.45 2.2 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.879 1.362 . . . . 0.0 110.219 163.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 pt -123.16 144.78 31.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 CA-C-O 123.986 1.851 . . . . 0.0 113.928 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.8 t -60.96 -37.89 84.01 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 120.744 -1.223 . . . . 0.0 108.431 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -61.86 -35.88 79.61 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.823 1.192 . . . . 0.0 112.114 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.1 -25.31 59.72 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.883 -2.008 . . . . 0.0 111.622 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.8 m -82.94 -19.91 36.3 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.3 1.863 . . . . 0.0 113.503 167.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.58 -44.62 81.74 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.725 -1.607 . . . . 0.0 107.662 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -61.37 5.46 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 122.431 2.378 . . . . 0.0 113.632 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.06 -30.07 65.91 Favored 'Trans proline' 0 C--N 1.357 1.014 0 CA-C-N 124.958 2.807 . . . . 0.0 111.123 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.3 m -62.0 -37.18 83.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.306 1.412 . . . . 0.0 109.932 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.18 -45.8 83.41 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.843 -1.785 . . . . 0.0 108.557 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -52.73 -49.2 65.89 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.479 0.582 . . . . 0.0 110.301 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.52 95.16 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.121 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.07 60.9 0.23 Allowed Glycine 0 C--N 1.354 1.569 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mmt -109.6 143.97 38.56 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.037 -0.982 . . . . 0.0 108.767 -173.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -79.86 -24.41 41.28 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 116.567 -1.682 . . . . 0.0 108.043 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.22 159.47 42.13 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.252 1.387 . . . . 0.0 112.894 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.11 103.27 0.29 Allowed Glycine 0 C--N 1.361 1.94 0 CA-C-O 116.938 -2.035 . . . . 0.0 109.913 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -129.26 150.47 50.62 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 115.282 -2.294 . . . . 0.0 108.295 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.257 36.7 t -108.98 127.5 54.13 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.604 2.002 . . . . 0.0 107.285 171.167 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 95.3 mmm -124.12 124.97 43.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.15 -156.18 0.31 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.4 -4.05 63.6 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 115.385 -2.897 . . . . 0.0 113.896 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -106.4 161.82 14.24 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 122.571 3.186 . . . . 0.0 109.564 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.8 m -110.44 144.95 38.46 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.386 0.994 . . . . 0.0 109.87 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.85 110.2 12.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 117.159 -1.401 . . . . 0.0 107.265 -171.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -116.96 156.99 26.49 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.575 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.7 p -123.56 136.8 27.64 Favored Pre-proline 0 C--N 1.36 1.061 0 CA-C-O 115.055 -2.402 . . . . 0.0 108.025 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.23 161.06 41.34 Favored 'Trans proline' 0 C--N 1.363 1.33 0 CA-C-N 122.118 1.792 . . . . 0.0 113.297 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.358 0.945 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 171.553 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.174 -1.571 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.4 t -92.61 97.59 7.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.8 mt -87.05 141.87 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -136.54 129.66 45.92 Favored 'Isoleucine or valine' 0 C--N 1.36 1.029 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -98.61 78.07 2.34 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -171.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.28 143.0 37.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.552 -1.214 . . . . 0.0 109.397 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -60.36 86.67 0.01 OUTLIER 'General case' 0 C--N 1.358 0.971 0 CA-C-N 119.497 1.044 . . . . 0.0 108.937 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -81.42 157.13 25.06 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 120.645 1.566 . . . . 0.0 108.18 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -123.6 -47.86 1.95 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.433 1.083 . . . . 0.0 110.527 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -117.3 128.19 74.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 CA-C-O 123.39 1.567 . . . . 0.0 111.27 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -55.41 -31.84 62.18 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 117.215 -1.374 . . . . 0.0 108.469 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -61.67 -40.83 96.32 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.685 1.584 . . . . 0.0 111.429 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.46 -22.39 62.69 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.163 -176.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -84.61 -19.87 32.3 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.995 1.725 . . . . 0.0 113.38 166.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.19 -39.24 78.8 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 116.551 -1.69 . . . . 0.0 107.748 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.29 -60.45 6.86 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 123.053 2.661 . . . . 0.0 112.45 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.6 -29.13 52.46 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 125.106 2.859 . . . . 0.0 111.799 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.2 m -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.803 1.638 . . . . 0.0 111.034 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -35.86 81.53 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 118.93 -2.356 . . . . 0.0 108.436 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.87 -48.15 80.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.16 69.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.63 57.21 0.07 OUTLIER Glycine 0 C--N 1.354 1.537 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mmm -111.13 148.87 31.76 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.223 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -83.91 -31.7 25.52 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.571 -1.681 . . . . 0.0 109.403 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -127.55 153.81 45.93 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.286 1.403 . . . . 0.0 111.969 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 94.09 0.18 Allowed Glycine 0 C--N 1.363 2.051 0 CA-C-O 117.472 -1.738 . . . . 0.0 109.598 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 151.48 51.83 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 115.944 -1.979 . . . . 0.0 109.979 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 t -120.23 156.29 31.46 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 121.045 1.748 . . . . 0.0 110.264 173.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLY . 10.3 mmt -113.78 136.68 52.59 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 104.251 -2.499 . . . . 0.0 104.251 161.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -43.89 92.12 0.0 OUTLIER 'General case' 0 C--N 1.358 0.948 0 O-C-N 124.441 1.088 . . . . 0.0 110.553 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.74 -71.58 0.29 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -175.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -131.58 150.32 52.19 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.074 -1.441 . . . . 0.0 111.233 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.3 m -95.62 146.85 24.16 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 119.08 0.855 . . . . 0.0 111.69 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -132.47 106.99 8.19 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -114.03 155.23 26.3 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.579 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.9 p -126.87 137.7 31.09 Favored Pre-proline 0 C--N 1.361 1.107 0 CA-C-O 115.794 -2.051 . . . . 0.0 108.789 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.24 161.82 39.82 Favored 'Trans proline' 0 C--N 1.364 1.382 0 CA-C-N 121.787 1.674 . . . . 0.0 114.329 -166.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 tttp . . . . . 0 C--N 1.359 0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 173.531 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.993 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.13 87.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-N 119.673 1.736 . . . . 0.0 106.514 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.76 140.76 16.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 104.921 -2.251 . . . . 0.0 104.921 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -126.34 122.44 61.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 167.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -94.11 87.36 5.27 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.425 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.44 142.25 29.27 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 CA-C-N 119.657 1.117 . . . . 0.0 113.63 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 88.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.902 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 p -84.07 166.04 18.03 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 119.605 1.093 . . . . 0.0 109.671 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -125.83 -48.44 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.6 -1.19 . . . . 0.0 111.0 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -118.9 133.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-O 123.476 1.608 . . . . 0.0 112.833 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.5 p -57.22 -35.18 69.34 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 120.622 -1.298 . . . . 0.0 108.17 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -61.3 -41.04 96.31 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.274 1.397 . . . . 0.0 111.473 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.86 -24.94 63.51 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.07 -1.919 . . . . 0.0 111.961 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -84.64 -20.15 31.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.922 1.692 . . . . 0.0 113.474 168.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -67.11 -40.27 86.83 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.837 -1.554 . . . . 0.0 107.799 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.58 -62.76 3.21 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-N 122.487 2.403 . . . . 0.0 112.632 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.69 -31.23 49.78 Favored 'Trans proline' 0 C--N 1.358 1.075 0 CA-C-N 124.909 2.789 . . . . 0.0 112.101 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.94 -37.25 76.3 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.021 1.282 . . . . 0.0 109.273 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -69.08 -48.55 62.4 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.45 1.477 . . . . 0.0 108.514 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -44.22 -51.55 8.14 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 118.461 0.573 . . . . 0.0 110.4 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -51.53 62.01 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.727 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.85 60.74 0.07 OUTLIER Glycine 0 C--N 1.355 1.626 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -103.04 153.8 19.9 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -85.47 -34.92 21.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-O 116.025 -1.94 . . . . 0.0 107.558 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -127.31 155.87 42.86 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 120.259 1.391 . . . . 0.0 110.742 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.01 97.22 0.19 Allowed Glycine 0 C--N 1.36 1.907 0 CA-C-O 116.711 -2.161 . . . . 0.0 111.421 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -132.79 160.23 37.46 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 120.417 2.108 . . . . 0.0 111.135 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 8.6 t -118.48 152.58 35.67 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 169.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.2 mmt -113.03 139.13 48.93 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 165.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -45.26 93.25 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.79 1.177 . . . . 0.0 110.541 -170.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.15 -67.64 0.39 Allowed Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.091 -1.394 . . . . 0.0 110.222 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -133.83 153.06 52.0 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.787 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -99.46 139.18 35.49 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.699 1.136 . . . . 0.0 110.489 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -133.33 114.2 13.46 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.952 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -117.88 162.41 18.16 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.003 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -122.94 136.51 26.93 Favored Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.522 -2.18 . . . . 0.0 108.036 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.77 162.47 41.09 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.098 1.785 . . . . 0.0 111.623 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.83 ' OXT' ' HD3' ' A' ' 38' ' ' LYS . 8.9 tmtm? . . . . . 0 C--N 1.355 0.844 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 171.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.99 0 CA-C-O 117.373 -1.793 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.81 132.52 19.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 119.445 1.622 . . . . 0.0 108.594 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.02 143.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.1 pt -139.85 138.78 38.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 119.737 1.153 . . . . 0.0 109.204 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -102.15 74.05 1.41 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -126.57 141.05 47.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.527 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -62.68 98.85 0.13 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.5 p -85.03 163.73 18.67 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 120.701 1.591 . . . . 0.0 107.885 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HZ1' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -122.64 -50.27 1.98 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.322 1.013 . . . . 0.0 109.345 168.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.61 138.05 53.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.26 0 CA-C-O 123.691 1.71 . . . . 0.0 112.795 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -36.11 72.53 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.6 -1.313 . . . . 0.0 108.125 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.69 -40.44 92.2 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.922 1.237 . . . . 0.0 111.328 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.82 -23.51 62.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.116 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.51 -21.49 32.75 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.094 1.77 . . . . 0.0 112.968 167.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 tp -66.74 -36.52 82.66 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.457 -1.735 . . . . 0.0 107.842 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.23 -62.04 5.5 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-N 123.348 2.794 . . . . 0.0 112.99 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.75 -29.47 68.68 Favored 'Trans proline' 0 C--N 1.354 0.856 0 CA-C-N 125.361 2.95 . . . . 0.0 111.127 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.0 m -64.67 -43.03 94.9 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.158 1.345 . . . . 0.0 111.472 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.9 2.136 . . . . 0.0 109.647 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.37 -49.05 78.5 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.106 0.866 . . . . 0.0 109.072 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.93 79.29 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.116 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 55.24 0.09 OUTLIER Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.0 mmt -109.9 140.2 44.13 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.19 -40.78 51.48 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -113.81 153.45 29.1 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 120.672 1.578 . . . . 0.0 112.486 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.71 95.41 0.17 Allowed Glycine 0 C--N 1.361 1.957 0 CA-C-O 117.103 -1.943 . . . . 0.0 110.032 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -131.28 154.85 48.07 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.747 1.774 . . . . 0.0 110.501 -176.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.68 149.33 39.98 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.37 130.56 56.84 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 167.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -35.86 93.44 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.546 1.153 . . . . 0.0 112.245 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.03 -69.24 0.4 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 118.349 -1.251 . . . . 0.0 110.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -123.45 155.04 38.21 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 116.489 -1.719 . . . . 0.0 109.352 -170.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -103.07 143.18 32.92 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.989 1.268 . . . . 0.0 111.427 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -134.7 112.97 11.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.824 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -118.03 162.19 18.58 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.722 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.9 p -129.66 134.12 25.84 Favored Pre-proline 0 C--N 1.361 1.106 0 CA-C-O 115.721 -2.085 . . . . 0.0 109.662 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.07 154.6 52.53 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.341 1.361 . . . . 0.0 111.524 -170.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 C--N 1.356 0.849 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 172.5 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.949 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.9 t -112.79 88.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 3' ' ' ILE . 2.4 mp -94.08 146.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.6 pt -135.14 140.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -99.48 76.47 2.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.74 142.47 40.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.74 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -60.28 91.42 0.02 OUTLIER 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.552 1.069 . . . . 0.0 109.201 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -80.87 160.08 24.85 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 120.96 1.709 . . . . 0.0 108.316 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.56 -53.7 1.78 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 pt -116.17 131.66 68.02 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.54 1.638 . . . . 0.0 112.03 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 t -56.87 -30.4 63.83 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 120.356 -1.465 . . . . 0.0 109.191 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -65.81 -40.44 91.87 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 120.196 1.362 . . . . 0.0 109.174 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.98 -22.38 64.11 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 121.875 2.125 . . . . 0.0 112.739 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.1 m -84.25 -18.17 37.37 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.54 1.973 . . . . 0.0 112.835 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.67 -40.72 92.71 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.315 -1.802 . . . . 0.0 107.437 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -52.65 -65.49 1.05 Allowed Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 122.895 2.589 . . . . 0.0 112.905 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.95 -30.29 83.29 Favored 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 125.161 2.879 . . . . 0.0 111.634 -174.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.8 m -63.38 -37.72 88.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.845 1.202 . . . . 0.0 110.608 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -39.94 56.79 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.657 2.026 . . . . 0.0 109.376 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -57.54 -46.4 83.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.237 0.926 . . . . 0.0 108.888 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.55 67.79 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.684 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.54 62.02 0.08 OUTLIER Glycine 0 C--N 1.356 1.678 0 CA-C-N 118.777 0.717 . . . . 0.0 111.575 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.75 150.26 28.58 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.822 -176.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -85.75 -26.91 25.56 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.547 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -128.25 152.0 48.61 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.138 1.79 . . . . 0.0 111.599 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.24 96.12 0.19 Allowed Glycine 0 C--N 1.359 1.83 0 CA-C-O 116.573 -2.237 . . . . 0.0 109.363 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -129.39 152.47 48.9 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 120.239 2.019 . . . . 0.0 109.596 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.0 t -115.61 149.08 38.85 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.044 1.747 . . . . 0.0 108.387 168.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 92.4 mmm -111.59 127.63 55.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 168.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -41.61 94.92 0.01 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.959 1.254 . . . . 0.0 111.083 -169.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 148.81 -69.84 0.33 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 159.81 35.53 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.216 -1.849 . . . . 0.0 109.708 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 33.2 m -99.26 142.66 30.46 Favored 'General case' 0 C--N 1.361 1.101 0 CA-C-N 119.9 1.227 . . . . 0.0 111.908 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -130.15 103.21 6.6 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -115.61 160.37 20.09 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.979 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -127.53 135.82 28.01 Favored Pre-proline 0 C--N 1.361 1.069 0 CA-C-O 116.122 -1.894 . . . . 0.0 108.667 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.53 167.92 25.03 Favored 'Trans proline' 0 C--N 1.365 1.4 0 CA-C-N 121.273 1.49 . . . . 0.0 112.09 -168.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.873 ' OXT' ' HD3' ' A' ' 38' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.52 102.34 7.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.6 mm -100.25 134.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 116.19 -1.862 . . . . 0.0 106.078 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.8 pt -136.76 140.94 42.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 120.943 1.701 . . . . 0.0 108.28 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -100.79 70.12 1.39 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -172.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -114.75 139.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.565 -1.207 . . . . 0.0 109.658 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.94 90.57 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.7 p -82.55 161.46 22.3 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.53 -40.03 2.5 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 124.896 1.372 . . . . 0.0 109.78 169.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -124.66 140.34 48.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 CA-C-O 124.213 1.958 . . . . 0.0 113.917 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -61.52 -31.87 71.88 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.4 -1.437 . . . . 0.0 108.557 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -65.03 -37.44 87.61 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 120.421 1.464 . . . . 0.0 111.082 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -71.88 -25.94 62.14 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 115.694 -2.098 . . . . 0.0 111.962 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.2 m -84.25 -17.92 38.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 121.52 1.964 . . . . 0.0 113.191 167.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.12 -40.95 86.93 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.035 -1.459 . . . . 0.0 108.053 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -62.4 4.3 Favored Pre-proline 0 C--N 1.356 0.85 0 CA-C-N 121.816 2.098 . . . . 0.0 112.59 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.36 -29.16 63.15 Favored 'Trans proline' 0 C--N 1.357 1.022 0 CA-C-N 124.712 2.719 . . . . 0.0 111.222 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.82 -37.25 83.74 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.174 1.352 . . . . 0.0 109.835 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -66.17 -45.09 82.11 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.479 1.945 . . . . 0.0 109.621 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -53.6 -45.2 69.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.167 0.894 . . . . 0.0 109.592 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.91 61.78 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.162 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.71 58.47 0.09 OUTLIER Glycine 0 C--N 1.355 1.634 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mmt -110.34 142.75 41.56 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.354 -173.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -75.61 -39.45 57.89 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.618 -1.658 . . . . 0.0 107.55 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -116.16 151.22 36.1 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 119.702 1.137 . . . . 0.0 111.61 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 97.33 0.24 Allowed Glycine 0 C--N 1.359 1.823 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -125.47 132.91 52.59 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 115.36 -2.257 . . . . 0.0 106.485 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 20.1 t -110.76 144.28 39.99 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 98.4 mmm -113.93 135.5 53.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -42.75 92.16 0.0 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.439 1.087 . . . . 0.0 111.656 -167.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.83 -67.23 0.41 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.992 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -125.13 156.66 37.99 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 116.471 -1.728 . . . . 0.0 110.215 -171.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 m -103.17 141.63 35.53 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.882 1.219 . . . . 0.0 111.441 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.45 102.94 5.5 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -172.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.9 m -111.02 168.83 9.19 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.219 -1.372 . . . . 0.0 108.908 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.7 p -138.15 141.05 30.72 Favored Pre-proline 0 C--N 1.36 1.025 0 CA-C-O 115.496 -2.193 . . . . 0.0 110.169 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.42 153.68 55.59 Favored 'Trans proline' 0 C--N 1.365 1.416 0 CA-C-N 121.815 1.684 . . . . 0.0 112.044 -170.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.927 ' OXT' ' HD2' ' A' ' 38' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 170.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 CA-C-O 117.565 -1.686 . . . . 0.0 108.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t -139.82 106.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mm -93.41 147.14 5.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -126.22 139.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -99.2 70.38 1.76 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.51 140.24 46.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.179 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -62.18 106.06 0.68 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.985 1.266 . . . . 0.0 108.443 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 15.2 p -91.67 161.39 14.93 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 121.547 1.976 . . . . 0.0 108.166 175.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -121.97 -40.76 2.49 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.406 1.066 . . . . 0.0 111.182 163.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.21 133.38 69.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 124.499 2.095 . . . . 0.0 112.224 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.4 p -58.25 -34.68 70.74 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.453 -1.404 . . . . 0.0 107.613 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.571 HH21 ' CD ' ' A' ' 16' ' ' GLU . 1.8 ttp-105 -64.9 -35.55 81.5 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.839 1.2 . . . . 0.0 110.981 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.14 -25.7 61.82 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.564 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.3 m -85.22 -20.8 29.59 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.524 1.966 . . . . 0.0 112.86 168.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.02 -38.69 92.21 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.463 -1.256 . . . . 0.0 107.68 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.571 ' CD ' HH21 ' A' ' 12' ' ' ARG . 99.0 mt-10 -58.88 -61.48 7.69 Favored Pre-proline 0 C--N 1.354 0.763 0 CA-C-N 121.109 1.777 . . . . 0.0 113.192 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.13 -28.86 80.22 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 125.633 3.047 . . . . 0.0 111.146 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.24 -38.56 90.72 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.14 1.336 . . . . 0.0 110.925 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.63 76.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 122.617 2.462 . . . . 0.0 109.08 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.45 -47.87 83.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.8 95.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.527 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.68 56.82 0.19 Allowed Glycine 0 C--N 1.354 1.578 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.9 mmm -111.99 147.02 36.81 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.333 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -81.85 -33.45 30.64 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.611 -1.662 . . . . 0.0 110.122 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -122.16 153.04 39.29 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.268 1.395 . . . . 0.0 110.635 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.35 89.72 0.16 Allowed Glycine 0 C--N 1.359 1.818 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -127.63 152.6 47.47 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 116.11 -1.9 . . . . 0.0 108.361 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.5 t -113.5 147.77 37.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 120.497 1.499 . . . . 0.0 109.019 170.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.46 129.61 55.54 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 167.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.17 95.84 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 O-C-N 124.559 1.162 . . . . 0.0 111.11 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.3 -71.06 0.4 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -127.21 161.8 27.67 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.45 -1.738 . . . . 0.0 109.961 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.3 m -101.85 144.8 30.06 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 119.584 1.084 . . . . 0.0 112.169 -175.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -127.93 106.0 8.8 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.66 157.14 23.51 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.929 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -128.56 136.61 29.38 Favored Pre-proline 0 C--N 1.361 1.08 0 CA-C-O 115.518 -2.182 . . . . 0.0 109.054 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.44 156.66 50.01 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 121.979 1.743 . . . . 0.0 112.961 -169.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 C--N 1.357 0.933 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 171.841 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.963 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.3 t -136.2 93.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.1 mt -75.77 145.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.409 -1.281 . . . . 0.0 107.669 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 pt -138.1 127.06 32.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 CA-C-N 119.198 0.908 . . . . 0.0 108.868 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -96.56 81.23 3.19 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.0 t -126.34 141.2 46.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.471 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 104.2 0.56 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -91.69 167.31 12.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 122.289 2.313 . . . . 0.0 105.421 174.132 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -121.8 -42.74 2.39 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.866 1.979 . . . . 0.0 110.286 154.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 pt -123.81 147.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 CA-C-O 123.981 1.848 . . . . 0.0 114.201 -173.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -64.17 -32.94 74.71 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 116.861 -1.542 . . . . 0.0 109.257 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.6 -39.79 94.36 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 121.482 1.946 . . . . 0.0 110.871 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.4 -28.74 66.42 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.405 -1.76 . . . . 0.0 111.769 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.36 -20.93 33.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.503 1.501 . . . . 0.0 113.478 170.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.97 -38.83 86.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 116.779 -1.582 . . . . 0.0 108.328 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.96 -62.78 3.32 Favored Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 122.429 2.377 . . . . 0.0 111.899 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.77 -27.87 51.86 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 124.989 2.818 . . . . 0.0 112.879 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.12 -44.24 95.04 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.51 1.505 . . . . 0.0 108.456 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -67.89 -44.06 77.87 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.8 -1.187 . . . . 0.0 108.979 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -45.8 -52.96 10.37 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.213 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.13 16.94 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.28 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.58 50.67 0.01 OUTLIER Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.361 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -106.0 141.01 38.11 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.543 -174.056 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.05 -23.49 26.72 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 115.409 -2.234 . . . . 0.0 107.234 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -137.69 165.9 25.27 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-N 121.512 1.96 . . . . 0.0 111.593 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.7 129.6 2.96 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-O 117.247 -1.863 . . . . 0.0 109.716 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 115.771 -2.061 . . . . 0.0 107.539 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.268 46.6 t -109.31 141.06 42.17 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 167.395 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -112.91 127.46 56.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.351 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.3 94.08 0.01 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 124.658 1.224 . . . . 0.0 110.998 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.63 -72.4 0.32 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.23 166.34 16.67 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.325 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.9 m -115.39 156.26 25.88 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.975 0.797 . . . . 0.0 111.114 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -129.93 123.49 30.85 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.9 m -101.97 132.7 47.64 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 m -113.97 106.01 53.82 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 116.8 -1.571 . . . . 0.0 108.694 -170.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 158.49 56.7 Favored 'Trans proline' 0 C--N 1.365 1.409 0 CA-C-N 120.789 1.318 . . . . 0.0 110.336 -167.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? . . . . . 0 C--N 1.356 0.85 0 C-N-CA 117.894 -1.522 . . . . 0.0 107.028 176.762 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.925 0 CA-C-O 117.594 -1.67 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.1 t -143.24 138.34 26.51 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 119.214 1.507 . . . . 0.0 108.412 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.6 mm -114.27 146.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.0 pt -133.71 133.48 56.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 169.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -97.18 71.95 2.43 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.055 1.298 . . . . 0.0 108.301 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.1 141.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.497 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.19 92.86 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.9 p -83.35 166.2 18.65 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 120.637 1.562 . . . . 0.0 109.099 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -125.22 -54.55 1.59 Allowed 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.296 0.997 . . . . 0.0 108.795 167.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 pt -114.31 135.64 53.43 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 CA-C-O 123.614 1.673 . . . . 0.0 112.615 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 p -56.91 -35.9 69.56 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -61.46 -40.88 96.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.201 1.364 . . . . 0.0 111.486 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -70.61 -23.12 62.49 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.003 -1.951 . . . . 0.0 112.413 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.6 m -84.41 -21.71 30.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.101 1.773 . . . . 0.0 112.704 167.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.47 -35.95 80.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.305 -1.807 . . . . 0.0 107.497 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.02 -63.8 2.37 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-N 123.325 2.784 . . . . 0.0 112.881 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.19 -31.37 54.03 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.793 2.748 . . . . 0.0 112.117 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.55 -39.87 95.0 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.644 1.565 . . . . 0.0 110.885 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -51.35 68.43 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 120.905 -1.122 . . . . 0.0 108.34 177.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -55.34 -47.06 76.25 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.898 -0.572 . . . . 0.0 110.709 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.48 82.95 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.291 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.74 57.4 0.22 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.5 mmt -104.73 143.76 32.66 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.321 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -72.27 -36.34 68.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.33 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.63 157.41 45.83 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.995 1.27 . . . . 0.0 113.056 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.65 105.21 0.37 Allowed Glycine 0 C--N 1.362 2.0 0 CA-C-O 117.406 -1.774 . . . . 0.0 109.921 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -137.68 158.1 45.08 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 116.282 -1.818 . . . . 0.0 109.52 -175.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -116.13 148.08 40.68 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 120.654 1.57 . . . . 0.0 108.232 172.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -110.97 125.16 53.41 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 167.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.95 96.45 0.01 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.167 1.348 . . . . 0.0 111.461 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.35 -70.25 0.42 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 159.08 26.99 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 116.714 -1.612 . . . . 0.0 110.147 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.8 m -102.08 148.8 24.95 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.433 1.015 . . . . 0.0 111.625 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -131.68 115.3 15.85 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.138 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.3 m -119.79 163.18 17.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.52 1.509 . . . . 0.0 109.725 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -131.72 136.56 28.63 Favored Pre-proline 0 C--N 1.36 1.026 0 CA-C-O 115.629 -2.129 . . . . 0.0 109.139 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.94 157.24 43.13 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.579 1.6 . . . . 0.0 112.474 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.356 0.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 169.66 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.921 0 CA-C-O 118.437 -1.201 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -139.33 81.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.0 140.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 pt -124.78 106.64 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -91.31 77.5 5.86 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -169.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.57 149.7 25.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 CA-C-O 118.74 -0.648 . . . . 0.0 112.468 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -61.68 108.27 0.96 Allowed 'General case' 0 C--N 1.358 0.941 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.233 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -88.72 174.66 7.88 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.333 0.97 . . . . 0.0 109.625 173.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -121.68 -53.38 1.99 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 162.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -122.49 146.27 27.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.32 0 CA-C-O 124.575 2.131 . . . . 0.0 115.255 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -59.13 -41.23 87.76 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.675 -1.266 . . . . 0.0 108.768 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -60.47 -35.51 76.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.529 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -75.73 -19.87 58.74 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.758 -2.068 . . . . 0.0 111.794 -176.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.4 m -85.69 -19.19 31.25 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 121.457 1.935 . . . . 0.0 112.749 165.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.24 -37.71 84.0 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.357 -1.782 . . . . 0.0 107.736 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -61.24 8.06 Favored Pre-proline 0 C--N 1.355 0.844 0 CA-C-N 123.034 2.652 . . . . 0.0 112.359 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.6 -32.83 57.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 CA-C-N 125.769 3.096 . . . . 0.0 111.732 -175.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -62.61 -37.43 86.24 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.527 1.512 . . . . 0.0 109.972 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.29 -47.99 83.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 121.069 1.759 . . . . 0.0 108.711 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -58.61 -46.06 87.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.107 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.59 87.04 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.894 0.77 . . . . 0.0 110.138 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.21 53.9 0.16 Allowed Glycine 0 C--N 1.354 1.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.8 mmt -113.11 140.48 47.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -73.92 -39.79 63.57 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.865 -1.54 . . . . 0.0 107.088 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -114.88 153.45 30.46 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.718 1.144 . . . . 0.0 112.629 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.94 87.6 0.13 Allowed Glycine 0 C--N 1.366 2.199 0 CA-C-O 115.446 -2.863 . . . . 0.0 113.339 -175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.49 164.91 23.78 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 121.619 2.709 . . . . 0.0 111.256 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.358 170.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.9 mmt -125.19 162.93 23.56 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 171.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t30 48.88 -108.18 0.26 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.619 -1.658 . . . . 0.0 107.726 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.43 24.17 2.94 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.116 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 153.94 43.84 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.369 2.085 . . . . 0.0 107.745 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -103.41 140.24 37.73 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.44 1.018 . . . . 0.0 111.832 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -127.62 115.07 18.21 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.69 158.29 24.04 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 117.527 -1.225 . . . . 0.0 110.974 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 p -134.09 137.45 28.27 Favored Pre-proline 0 C--N 1.363 1.174 0 CA-C-O 115.71 -2.091 . . . . 0.0 110.415 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.65 155.0 63.86 Favored 'Trans proline' 0 C--N 1.369 1.647 0 CA-C-N 121.286 1.495 . . . . 0.0 113.093 -167.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.357 0.916 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.808 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.891 0 CA-C-O 117.28 -1.845 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.7 t -131.98 101.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 86.8 mt -78.95 144.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.6 pt -138.35 136.5 44.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -99.86 64.49 1.25 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.3 145.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.185 -0.912 . . . . 0.0 108.977 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -81.08 85.78 6.25 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.07 165.11 19.85 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 119.988 1.267 . . . . 0.0 108.879 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -121.24 -31.38 4.12 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.114 1.509 . . . . 0.0 112.304 157.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.22 140.45 49.05 Favored 'Isoleucine or valine' 0 C--N 1.371 1.521 0 CA-C-O 123.97 1.843 . . . . 0.0 113.726 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -34.42 76.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.53 -1.356 . . . . 0.0 108.278 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.3 -39.0 93.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.687 1.585 . . . . 0.0 111.516 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.74 -28.01 65.43 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.093 -1.908 . . . . 0.0 111.463 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.5 m -83.7 -18.62 37.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.783 1.629 . . . . 0.0 113.506 169.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 tp -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.088 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.53 -63.27 2.64 Favored Pre-proline 0 C--N 1.355 0.835 0 CA-C-N 122.055 2.207 . . . . 0.0 111.963 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.51 -30.3 52.32 Favored 'Trans proline' 0 C--N 1.359 1.093 0 CA-C-N 124.655 2.698 . . . . 0.0 112.262 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.59 -49.28 78.18 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.216 1.371 . . . . 0.0 108.828 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -63.39 -46.95 84.06 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 119.977 -1.702 . . . . 0.0 108.654 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -49.43 -46.0 47.11 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.118 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.42 -62.19 1.5 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.413 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.22 50.13 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.669 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 118.541 -0.743 . . . . 0.0 111.019 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -88.46 -27.15 21.69 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.957 -1.973 . . . . 0.0 108.591 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.75 163.16 32.04 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.311 1.869 . . . . 0.0 112.458 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 122.01 1.78 Allowed Glycine 0 C--N 1.357 1.713 0 CA-C-O 117.268 -1.851 . . . . 0.0 108.892 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -130.42 138.06 50.15 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 116.06 -1.924 . . . . 0.0 107.126 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.6 t -110.17 143.17 40.67 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 2.9 mmt -113.08 133.42 55.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 170.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -40.49 94.25 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.541 1.15 . . . . 0.0 111.276 -168.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 143.74 -70.33 0.4 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.1 161.24 27.22 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.644 -1.169 . . . . 0.0 111.267 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.9 m -109.73 155.91 20.96 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.965 -176.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -129.87 120.49 25.01 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 m -104.77 114.39 28.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 m -98.14 110.43 56.03 Favored Pre-proline 0 C--N 1.361 1.077 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.205 -169.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.66 156.17 64.34 Favored 'Trans proline' 0 C--N 1.366 1.486 0 CA-C-N 121.263 1.487 . . . . 0.0 112.831 -165.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--N 1.356 0.866 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 173.823 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.937 0 CA-C-O 117.143 -1.921 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.0 t -131.94 123.57 51.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 119.663 1.731 . . . . 0.0 106.809 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.5 mp -100.67 143.85 13.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.0 pt -134.73 142.72 39.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.11 67.81 2.64 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -167.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.21 138.28 46.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.59 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -67.23 89.25 0.19 Allowed 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.25 11.7 p -83.0 154.01 24.69 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -116.64 -22.49 8.62 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.888 159.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -129.35 142.9 42.77 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 CA-C-O 124.104 1.907 . . . . 0.0 112.876 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -63.7 -33.81 76.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 120.198 -1.564 . . . . 0.0 108.415 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 111.192 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.35 -22.87 61.09 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.923 1.692 . . . . 0.0 111.554 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.2 m -77.53 -30.92 53.07 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.695 1.589 . . . . 0.0 112.198 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.09 -41.62 90.43 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 116.92 -1.514 . . . . 0.0 110.199 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.04 -62.43 2.84 Favored Pre-proline 0 C--N 1.357 0.911 0 CA-C-N 122.161 2.255 . . . . 0.0 111.736 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.15 -26.28 50.01 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 124.594 2.676 . . . . 0.0 111.852 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.57 -45.98 87.88 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.83 1.65 . . . . 0.0 108.14 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -61.6 -49.57 76.09 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.275 -1.516 . . . . 0.0 109.571 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -48.33 -48.9 35.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.897 -174.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.53 -56.18 18.07 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.609 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.11 57.84 0.02 OUTLIER Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.2 mmt -117.65 146.02 43.97 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.304 -172.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -78.96 -36.71 41.06 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.665 -2.112 . . . . 0.0 107.816 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.07 160.1 32.18 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.039 1.745 . . . . 0.0 113.194 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.97 110.04 0.88 Allowed Glycine 0 C--N 1.358 1.804 0 N-CA-C 106.826 -2.509 . . . . 0.0 106.826 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -124.83 133.32 53.15 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 115.405 -2.236 . . . . 0.0 105.002 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -115.61 149.68 37.89 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 121.551 1.978 . . . . 0.0 106.155 170.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.5 mmm -114.28 138.1 50.93 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 103.529 -2.767 . . . . 0.0 103.529 169.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -46.79 94.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.205 1.366 . . . . 0.0 109.855 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.65 -69.56 0.39 Allowed Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.28 -176.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 20.2 mtpp -118.34 152.98 34.77 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.098 -1.906 . . . . 0.0 110.195 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -90.98 147.27 23.21 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -126.72 108.66 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.5 m -101.83 140.37 36.22 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.138 -1.411 . . . . 0.0 107.259 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 m -116.24 108.69 45.4 Favored Pre-proline 0 C--N 1.357 0.933 0 CA-C-O 116.089 -1.91 . . . . 0.0 109.348 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.09 162.97 33.66 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.845 1.697 . . . . 0.0 112.976 -166.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.3 tptt . . . . . 0 C--N 1.357 0.928 0 C-N-CA 118.575 -1.25 . . . . 0.0 110.669 176.323 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.905 0 CA-C-O 117.343 -1.809 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.7 t -130.16 104.62 10.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.97 146.7 6.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.61 139.97 49.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -102.54 68.81 1.07 Allowed 'General case' 0 C--N 1.358 0.965 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.89 141.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.124 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.55 89.03 0.95 Allowed 'General case' 0 C--N 1.36 1.051 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.288 0.5 OUTLIER -80.32 167.93 19.65 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 178.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -125.07 -32.66 2.98 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 126.413 2.321 . . . . 0.0 112.485 156.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.29 151.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-O 124.201 1.953 . . . . 0.0 114.722 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -68.24 -32.85 73.33 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.012 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.62 -41.33 98.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 121.462 1.937 . . . . 0.0 110.018 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.52 -29.09 66.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.093 -1.908 . . . . 0.0 112.111 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.37 -20.1 34.86 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.96 1.709 . . . . 0.0 113.227 169.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.44 -38.5 90.04 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.166 -1.397 . . . . 0.0 108.265 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -62.32 3.61 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-N 121.657 2.026 . . . . 0.0 111.979 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.19 -27.69 41.21 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-N 124.739 2.728 . . . . 0.0 111.781 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.2 -53.24 59.35 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.784 1.629 . . . . 0.0 108.581 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -63.91 -38.4 90.94 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.203 -1.561 . . . . 0.0 109.924 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.13 -51.83 67.75 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.192 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.89 78.47 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.705 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.08 53.89 0.05 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 mmt -114.24 143.2 45.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -171.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -83.19 -28.87 29.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.539 -2.172 . . . . 0.0 107.24 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.16 161.42 29.31 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.519 1.509 . . . . 0.0 112.569 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 113.1 1.25 Allowed Glycine 0 C--N 1.36 1.892 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.36 124.31 33.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.867 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 38.2 t -110.72 140.61 44.95 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-N 121.496 1.953 . . . . 0.0 107.68 171.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.3 mtt -114.17 135.42 54.06 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 167.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.93 96.31 0.01 OUTLIER 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.204 0.94 . . . . 0.0 110.268 -171.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.2 -71.33 0.36 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.21 172.43 10.06 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 117.091 -1.433 . . . . 0.0 109.463 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -121.95 155.66 35.04 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 119.099 0.863 . . . . 0.0 111.506 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -130.28 116.39 18.29 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -104.16 126.8 51.56 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -101.29 122.26 48.88 Favored Pre-proline 0 C--N 1.357 0.935 0 CA-C-O 115.472 -2.204 . . . . 0.0 108.718 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.06 155.98 56.41 Favored 'Trans proline' 0 C--N 1.364 1.368 0 CA-C-N 121.989 1.746 . . . . 0.0 112.794 -168.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' OXT' ' A' ' 38' ' ' LYS . 6.6 ttpm? . . . . . 0 C--N 1.358 0.956 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 68.8 t -134.18 108.64 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.6 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.0 pt -133.91 143.47 38.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 173.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -101.26 72.8 1.46 Allowed 'General case' 0 C--N 1.357 0.92 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -172.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.02 138.6 53.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.315 -1.326 . . . . 0.0 109.146 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -66.46 100.39 0.65 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-O 116.776 -1.583 . . . . 0.0 107.548 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 8.5 p -84.61 161.24 20.21 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -116.46 -40.55 3.21 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.92 1.388 . . . . 0.0 108.893 160.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 pt -122.09 142.56 37.95 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 CA-C-O 124.421 2.058 . . . . 0.0 114.151 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -62.08 -32.86 73.45 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 117.15 -1.405 . . . . 0.0 108.863 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 24.3 tpt180 -63.04 -38.57 91.72 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.91 1.686 . . . . 0.0 111.057 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.31 -27.97 64.8 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 116.002 -1.952 . . . . 0.0 111.552 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -82.64 -20.19 36.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.975 1.716 . . . . 0.0 113.205 168.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.62 -39.85 84.68 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.129 -1.415 . . . . 0.0 108.761 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 2.8 mp0 -53.62 -61.09 5.63 Favored Pre-proline 0 C--N 1.357 0.895 0 CA-C-N 121.769 2.077 . . . . 0.0 111.839 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.33 -24.34 43.52 Favored 'Trans proline' 0 C--N 1.357 0.977 0 CA-C-N 125.088 2.853 . . . . 0.0 112.075 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.37 -42.05 90.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.056 1.753 . . . . 0.0 107.134 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.031 -1.668 . . . . 0.0 110.365 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -55.58 -37.62 68.31 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.831 1.196 . . . . 0.0 111.06 -171.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -56.02 9.26 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.066 0.848 . . . . 0.0 109.469 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.56 52.77 0.02 OUTLIER Glycine 0 C--N 1.354 1.555 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.42 133.52 54.45 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -82.55 -22.47 34.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.424 -2.226 . . . . 0.0 107.149 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -136.76 168.18 20.01 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 121.094 1.77 . . . . 0.0 111.411 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.92 128.02 2.76 Favored Glycine 0 C--N 1.358 1.762 0 CA-C-O 117.548 -1.696 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.65 125.19 29.8 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.601 -2.142 . . . . 0.0 106.354 -178.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.3 t -109.07 140.41 42.66 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 169.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.2 mtm -114.99 124.49 51.8 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -33.51 89.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.184 1.552 . . . . 0.0 112.399 -168.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.37 -72.32 0.29 Allowed Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -124.26 165.01 18.38 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.731 -1.604 . . . . 0.0 108.991 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m -113.89 153.83 28.55 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -126.4 111.23 14.23 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -98.99 127.35 44.89 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 m -110.21 110.46 58.4 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 116.237 -1.84 . . . . 0.0 109.736 -166.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 153.72 72.94 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.338 1.359 . . . . 0.0 110.369 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--N 1.356 0.889 0 C-N-CA 117.226 -1.789 . . . . 0.0 108.721 175.156 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.964 0 CA-C-O 117.254 -1.859 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.56 116.2 24.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.5 mp -90.96 141.99 13.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.9 pt -127.82 130.94 70.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -95.34 75.57 3.37 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -174.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.62 141.93 37.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.124 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -73.15 93.68 1.86 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 p -83.78 164.11 19.76 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 119.479 1.036 . . . . 0.0 109.899 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -126.06 -48.22 1.61 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.565 167.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -117.56 130.12 72.95 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-O 123.225 1.488 . . . . 0.0 111.803 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -53.59 -34.72 59.42 Favored 'General case' 0 CA--C 1.504 -0.795 0 O-C-N 120.436 -1.415 . . . . 0.0 108.578 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -60.68 -42.17 96.57 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.949 1.249 . . . . 0.0 111.69 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.67 -21.63 63.51 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.108 -1.901 . . . . 0.0 111.727 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.26 -21.59 31.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.835 1.652 . . . . 0.0 113.391 167.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.2 -44.55 88.0 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.308 1.413 . . . . 0.0 107.342 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.43 -62.05 3.12 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.154 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.62 -28.61 60.89 Favored 'Trans proline' 0 C--N 1.357 1.019 0 CA-C-N 124.91 2.789 . . . . 0.0 112.061 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -58.23 -48.52 80.11 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.561 1.528 . . . . 0.0 108.127 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.52 -45.84 91.13 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.354 . . . . 0.0 109.698 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -48.17 -46.85 35.13 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.886 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -63.7 1.0 Allowed 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.338 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' C ' ' SD ' ' A' ' 23' ' ' MET . . . 169.41 45.44 0.03 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.804 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -113.76 149.98 34.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.293 -172.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -97.48 -19.61 18.29 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 115.649 -2.12 . . . . 0.0 110.32 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.91 172.95 12.26 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.945 2.157 . . . . 0.0 111.514 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.84 132.82 2.21 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.52 -1.711 . . . . 0.0 111.431 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -129.9 150.18 51.3 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 115.392 -2.242 . . . . 0.0 110.0 -175.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.9 t -116.16 134.52 54.84 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 121.914 2.143 . . . . 0.0 108.98 170.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.401 ' N ' ' SD ' ' A' ' 29' ' ' MET . 4.0 mpp? -130.12 159.81 35.67 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 117.596 -1.193 . . . . 0.0 108.357 175.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.7 t30 46.57 -100.77 0.06 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.907 -1.521 . . . . 0.0 109.18 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.73 17.93 3.02 Favored Glycine 0 C--N 1.357 1.706 0 CA-C-O 115.526 -2.819 . . . . 0.0 113.868 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -127.52 154.13 45.51 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 122.055 2.928 . . . . 0.0 109.025 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m -103.61 155.14 18.77 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.672 1.232 . . . . 0.0 109.585 -173.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -128.27 112.23 14.24 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.0 m -98.32 128.24 44.65 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 m -115.55 109.34 45.97 Favored Pre-proline 0 C--N 1.355 0.811 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.243 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 162.66 39.35 Favored 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 120.333 1.155 . . . . 0.0 110.731 -165.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 177.896 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.915 0 CA-C-O 117.062 -1.965 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.4 t -132.07 129.72 60.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-N 119.669 1.735 . . . . 0.0 107.759 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.63 136.92 56.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.18 109.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -91.18 84.25 5.65 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -173.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.57 145.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.15 97.66 1.23 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.181 1.355 . . . . 0.0 107.44 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.73 169.54 14.16 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 119.881 1.219 . . . . 0.0 109.325 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -123.94 -49.86 1.84 Allowed 'General case' 0 C--N 1.357 0.922 0 O-C-N 124.384 1.053 . . . . 0.0 110.659 165.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -118.34 131.35 71.37 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 123.081 1.419 . . . . 0.0 112.181 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -57.55 -29.93 64.81 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.221 -1.549 . . . . 0.0 108.305 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -45.32 95.13 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.66 1.573 . . . . 0.0 110.334 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.79 -20.66 65.22 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.138 -1.887 . . . . 0.0 112.17 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.5 m -87.1 -14.11 42.29 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.814 1.643 . . . . 0.0 113.831 167.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.8 tm? -66.38 -54.36 25.29 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -42.96 -60.56 2.26 Favored Pre-proline 0 C--N 1.355 0.816 0 CA-C-N 120.941 1.701 . . . . 0.0 113.303 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.84 -33.53 33.44 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 125.375 2.955 . . . . 0.0 111.61 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.097 1.317 . . . . 0.0 110.625 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -35.9 57.76 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 121.716 2.053 . . . . 0.0 109.259 177.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -52.49 -45.56 66.22 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 120.526 1.512 . . . . 0.0 108.606 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.09 25.25 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.256 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.22 60.96 0.07 OUTLIER Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -101.87 152.77 20.51 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ttp-105 -86.43 -35.29 19.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 115.496 -2.193 . . . . 0.0 107.073 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -126.2 157.42 38.25 Favored 'General case' 0 C--N 1.37 1.458 0 CA-C-N 120.69 1.587 . . . . 0.0 111.373 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.85 112.08 0.76 Allowed Glycine 0 C--N 1.361 1.937 0 CA-C-O 116.43 -2.317 . . . . 0.0 111.043 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -133.36 148.07 51.83 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 120.867 2.334 . . . . 0.0 110.151 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -117.48 147.08 43.06 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 162.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' GLY . 83.0 mtp -114.91 128.0 56.03 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 167.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -36.96 91.88 0.0 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.972 1.42 . . . . 0.0 111.055 -168.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 150.62 -74.63 0.26 Allowed Glycine 0 C--N 1.353 1.512 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.032 1.416 . . . . 0.0 110.862 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.6 m -98.98 138.01 36.7 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.909 0.756 . . . . 0.0 111.155 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -135.64 118.49 16.21 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-O 117.637 -1.173 . . . . 0.0 108.599 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.6 m -119.98 162.54 19.04 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.265 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -115.56 134.2 22.67 Favored Pre-proline 0 C--N 1.361 1.074 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.928 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.74 162.81 40.21 Favored 'Trans proline' 0 C--N 1.362 1.267 0 CA-C-N 121.857 1.699 . . . . 0.0 110.776 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? . . . . . 0 CA--C 1.505 -0.763 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 170.235 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.973 0 CA-C-O 117.906 -1.497 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.86 86.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.823 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 3' ' ' ILE . 2.0 mp -92.52 149.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.33 135.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -99.72 70.65 1.66 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.949 0.795 . . . . 0.0 108.864 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -114.96 145.52 20.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.928 -1.035 . . . . 0.0 108.585 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.44 94.48 0.74 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 p -82.28 165.62 20.24 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 120.099 1.318 . . . . 0.0 109.248 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -123.71 -51.3 1.82 Allowed 'General case' 0 C--N 1.357 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 110.122 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.57 132.26 69.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 CA-C-O 123.366 1.555 . . . . 0.0 112.71 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -54.9 -33.94 62.57 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.981 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.2 -39.88 95.9 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.709 1.595 . . . . 0.0 111.523 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.47 -24.34 62.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.147 -1.883 . . . . 0.0 111.98 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.62 -17.31 36.54 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.832 1.651 . . . . 0.0 113.384 168.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.76 -41.31 75.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.933 -1.508 . . . . 0.0 108.05 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -54.77 -59.69 9.9 Favored Pre-proline 0 C--N 1.355 0.817 0 CA-C-N 121.999 2.181 . . . . 0.0 112.448 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.89 -33.35 52.81 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 125.09 2.854 . . . . 0.0 111.763 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.07 -35.82 74.01 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.943 1.247 . . . . 0.0 109.308 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -69.61 -44.11 71.38 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.429 1.468 . . . . 0.0 110.539 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -51.59 -44.93 62.98 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.699 1.59 . . . . 0.0 109.501 -172.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.23 36.62 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.472 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.81 61.23 0.06 OUTLIER Glycine 0 C--N 1.356 1.655 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -102.49 150.56 23.26 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 118.884 -0.579 . . . . 0.0 110.996 -176.422 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -75.07 -38.9 61.16 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 116.562 -1.685 . . . . 0.0 107.502 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -135.83 153.43 51.5 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.126 1.33 . . . . 0.0 113.195 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 106.97 0.67 Allowed Glycine 0 C--N 1.36 1.91 0 CA-C-O 116.884 -2.064 . . . . 0.0 108.247 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.69 131.32 43.0 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 114.68 -2.581 . . . . 0.0 107.714 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -110.09 142.29 41.75 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 122.522 2.419 . . . . 0.0 106.997 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 94.4 mtp -113.78 134.57 54.69 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 171.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -40.5 94.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.76 1.288 . . . . 0.0 111.036 -169.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.27 -70.51 0.34 Allowed Glycine 0 C--N 1.355 1.608 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -129.09 156.71 43.44 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.324 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 39.6 m -98.04 135.53 39.6 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.431 1.014 . . . . 0.0 110.018 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -126.48 108.28 11.03 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -114.07 163.12 15.6 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.402 -1.285 . . . . 0.0 109.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -127.73 135.77 27.97 Favored Pre-proline 0 C--N 1.361 1.087 0 CA-C-O 115.548 -2.168 . . . . 0.0 108.06 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.83 162.84 40.75 Favored 'Trans proline' 0 C--N 1.365 1.421 0 CA-C-N 121.032 1.404 . . . . 0.0 110.648 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 174.284 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.91 0 CA-C-O 117.092 -1.949 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.7 t -134.47 140.02 46.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.687 1.744 . . . . 0.0 107.817 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mm -108.07 145.89 14.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.1 pt -139.27 119.89 14.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 173.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -92.88 78.87 4.69 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -172.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.69 138.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.702 -176.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 103.57 0.46 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 14.1 p -90.3 160.91 15.9 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 121.183 1.811 . . . . 0.0 107.197 175.759 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -122.56 -31.39 3.76 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.151 159.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -126.74 136.46 60.75 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.801 1.762 . . . . 0.0 113.159 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.1 p -60.32 -30.93 69.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.358 -1.464 . . . . 0.0 108.429 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.75 1.614 . . . . 0.0 111.432 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.88 -27.52 65.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 116.368 -1.777 . . . . 0.0 111.367 -175.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -83.72 -21.55 32.28 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.471 1.487 . . . . 0.0 113.344 170.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.48 -35.84 82.1 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.255 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 -64.19 2.13 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-N 122.262 2.301 . . . . 0.0 111.967 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.98 -27.35 58.14 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 124.819 2.757 . . . . 0.0 112.14 -176.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.8 m -59.62 -43.62 93.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.364 1.438 . . . . 0.0 107.92 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.98 -48.01 82.25 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.955 -1.716 . . . . 0.0 108.894 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -52.23 -47.53 65.63 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.593 -176.276 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.99 62.89 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.128 -179.318 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 53.76 0.03 OUTLIER Glycine 0 C--N 1.353 1.492 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.65 137.64 50.62 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.541 -0.743 . . . . 0.0 110.524 -168.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -26.89 51.11 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 116.306 -1.807 . . . . 0.0 108.175 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -140.17 165.49 27.24 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-N 120.685 1.584 . . . . 0.0 112.837 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.99 2.85 Favored Glycine 0 C--N 1.358 1.798 0 CA-C-O 117.258 -1.857 . . . . 0.0 108.513 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -131.74 129.53 40.74 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 115.488 -2.196 . . . . 0.0 107.482 -176.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.2 t -112.35 144.0 42.51 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 121.507 1.958 . . . . 0.0 107.104 169.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ASN . 14.8 mmt -113.87 119.01 35.83 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 170.638 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' MET . 7.2 t30 -29.01 90.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 125.289 1.618 . . . . 0.0 111.738 -173.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.27 -75.26 0.27 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.37 158.14 31.76 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 118.79 1.295 . . . . 0.0 109.826 -175.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.6 m -104.02 153.47 20.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 124.296 0.998 . . . . 0.0 111.253 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -130.22 121.74 26.77 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 -178.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.5 m -103.41 138.14 40.56 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.3 m -112.89 106.75 55.05 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.096 -169.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -70.55 150.18 63.03 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.519 1.479 . . . . 0.0 111.444 -169.714 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.357 0.932 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.506 176.928 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.883 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -137.15 96.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.904 0 CA-C-N 119.613 1.707 . . . . 0.0 107.043 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.11 144.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.2 pt -130.07 143.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -97.87 76.65 2.45 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -127.86 120.15 53.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.947 -174.035 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -44.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.647 170.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.1 p -84.61 165.08 18.26 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 120.367 1.439 . . . . 0.0 108.505 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -120.81 -48.99 2.24 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.66 1.225 . . . . 0.0 109.397 167.394 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -122.24 139.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.366 1.317 0 CA-C-O 123.716 1.722 . . . . 0.0 113.091 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -62.09 -28.58 69.72 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.64 -177.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -39.3 90.78 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.282 1.855 . . . . 0.0 110.974 176.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.23 -26.33 63.8 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 115.721 -2.085 . . . . 0.0 111.644 -175.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -84.11 -21.56 31.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.174 1.807 . . . . 0.0 113.257 168.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.902 1.228 . . . . 0.0 107.733 175.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.16 -62.97 4.2 Favored Pre-proline 0 C--N 1.354 0.8 0 CA-C-O 116.328 -1.796 . . . . 0.0 112.451 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.35 -27.52 47.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 CA-C-N 125.073 2.848 . . . . 0.0 112.413 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.1 m -56.98 -43.77 82.0 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.552 1.524 . . . . 0.0 107.721 176.053 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -63.91 -50.28 69.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.842 -1.161 . . . . 0.0 108.602 178.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -44.85 -50.26 10.41 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.209 -175.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -56.29 14.09 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.546 -177.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.25 54.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.485 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.984 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.68 148.0 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.219 -174.244 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -92.63 -17.45 24.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 115.895 -2.002 . . . . 0.0 109.631 175.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.44 162.42 34.5 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 121.571 1.987 . . . . 0.0 113.204 172.438 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.03 119.49 1.54 Allowed Glycine 0 C--N 1.36 1.864 0 CA-C-O 117.319 -1.823 . . . . 0.0 109.182 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -133.51 126.69 31.62 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.326 -2.273 . . . . 0.0 107.809 -175.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 26.0 t -110.76 140.57 45.05 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 121.758 2.072 . . . . 0.0 106.851 172.068 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 31' ' ' GLY . 26.2 mmt -111.79 131.58 55.24 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.329 -2.471 . . . . 0.0 104.329 171.49 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -37.32 92.36 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.145 1.528 . . . . 0.0 111.534 -170.392 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.97 -71.65 0.33 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -178.458 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -123.72 158.18 32.23 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 116.841 -1.552 . . . . 0.0 109.141 -171.517 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 13.6 m -105.0 149.34 25.85 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.425 1.011 . . . . 0.0 110.286 -177.264 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -122.85 116.98 24.57 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.49 130.5 46.58 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 177.412 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.4 m -109.79 104.58 55.76 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.446 -1.74 . . . . 0.0 108.083 -169.398 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.03 158.57 56.16 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 120.621 1.257 . . . . 0.0 111.176 -167.14 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.355 0.836 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.93 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 CA-C-O 117.452 -1.749 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -134.27 128.29 51.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-O 116.434 -1.746 . . . . 0.0 106.703 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.9 142.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.66 136.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 172.304 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -93.56 72.33 4.34 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -168.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -112.37 134.09 56.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.779 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -63.27 86.86 0.03 OUTLIER 'General case' 0 C--N 1.358 0.944 0 CA-C-N 119.658 1.117 . . . . 0.0 108.354 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -81.3 158.23 24.83 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -115.85 -42.04 3.14 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.523 1.139 . . . . 0.0 110.621 165.37 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -121.44 138.36 52.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 CA-C-O 123.52 1.629 . . . . 0.0 112.322 -176.25 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -32.96 67.35 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.511 -1.368 . . . . 0.0 109.374 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.14 90.0 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.437 1.017 . . . . 0.0 111.279 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.36 -22.04 61.21 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.9 m -79.06 -24.13 43.77 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.895 1.68 . . . . 0.0 112.362 166.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.12 -51.4 64.13 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 2.5 mp0 -45.6 -62.2 1.91 Allowed Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 121.656 2.025 . . . . 0.0 113.192 -175.015 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.19 -30.6 82.13 Favored 'Trans proline' 0 C--N 1.355 0.894 0 CA-C-N 125.121 2.865 . . . . 0.0 111.316 -178.124 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.7 -43.96 93.87 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.503 1.501 . . . . 0.0 110.449 177.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -37.47 68.65 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.671 1.578 . . . . 0.0 110.299 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.41 -46.42 83.53 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.201 0.909 . . . . 0.0 108.701 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.79 24.57 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.892 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.57 55.92 0.02 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-N 118.328 0.513 . . . . 0.0 112.041 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.39 152.08 24.66 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.975 -0.536 . . . . 0.0 112.077 -174.043 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.478 HH21 ' HE3' ' A' ' 38' ' ' LYS . 44.2 ttm180 -84.29 -32.73 24.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.319 -1.801 . . . . 0.0 108.712 173.543 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -139.42 168.73 19.17 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-N 121.047 1.749 . . . . 0.0 112.493 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.41 126.64 2.97 Favored Glycine 0 C--N 1.359 1.806 0 CA-C-O 117.714 -1.603 . . . . 0.0 109.819 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tppp? -129.51 131.78 46.71 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 115.111 -2.376 . . . . 0.0 105.275 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 7.6 t -114.85 147.4 39.93 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 122.611 2.459 . . . . 0.0 106.014 169.332 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' GLY . 50.0 mtm -117.84 137.09 53.0 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 170.137 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -44.36 92.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.771 1.295 . . . . 0.0 109.921 -168.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 152.76 -74.12 0.25 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 -173.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 57.2 mtmt -126.72 153.07 45.97 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.177 1.489 . . . . 0.0 111.668 -171.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.55 149.86 24.08 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -125.6 113.05 16.89 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 173.343 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -99.38 133.91 43.01 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -112.64 101.38 52.65 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 116.466 -1.73 . . . . 0.0 107.385 -170.106 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.61 159.2 54.56 Favored 'Trans proline' 0 C--N 1.364 1.361 0 CA-C-N 121.005 1.395 . . . . 0.0 111.55 -166.422 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HE3' HH21 ' A' ' 24' ' ' ARG . 87.8 tttt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.186 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.997 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -134.9 108.65 10.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 119.631 1.715 . . . . 0.0 107.252 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.13 143.04 13.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.5 pt -131.25 130.15 63.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 169.242 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -94.25 78.45 3.97 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -170.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.4 t -126.58 132.19 70.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.302 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 97.28 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.9 p -88.53 169.17 11.97 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 121.291 1.86 . . . . 0.0 108.432 179.069 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.63 -53.73 1.77 Allowed 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.732 1.27 . . . . 0.0 107.751 164.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -117.87 144.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-O 124.335 2.017 . . . . 0.0 114.813 -177.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -59.19 -35.23 73.22 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.586 -177.752 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -64.19 -39.58 94.28 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.331 1.423 . . . . 0.0 111.266 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.27 -26.76 65.82 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 121.199 1.818 . . . . 0.0 111.175 -174.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -85.14 -17.79 36.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.345 1.43 . . . . 0.0 113.679 168.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.3 -46.03 78.33 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.012 178.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.31 -60.81 4.58 Favored Pre-proline 0 C--N 1.356 0.853 0 CA-C-N 121.322 1.874 . . . . 0.0 111.94 -179.238 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.1 -26.62 57.67 Favored 'Trans proline' 0 C--N 1.357 1.003 0 CA-C-N 124.843 2.765 . . . . 0.0 112.105 -177.361 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -60.7 -40.93 94.05 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.965 1.712 . . . . 0.0 108.613 174.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.18 -44.73 78.93 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.967 -1.708 . . . . 0.0 108.69 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -47.59 -51.08 22.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.795 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.66 64.92 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.843 -176.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.22 58.32 0.05 OUTLIER Glycine 0 C--N 1.352 1.456 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 mmt -118.06 137.67 52.75 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.433 -172.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.81 -30.75 59.13 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 115.762 -2.065 . . . . 0.0 108.153 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -131.69 165.32 23.98 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.528 1.967 . . . . 0.0 112.996 -177.239 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.25 122.92 2.29 Favored Glycine 0 C--N 1.359 1.824 0 CA-C-O 117.389 -1.784 . . . . 0.0 109.55 -177.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -132.31 132.33 42.86 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.043 -178.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.0 t -111.59 141.31 45.34 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 166.02 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -112.43 126.3 55.15 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 170.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -34.63 90.74 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 O-C-N 125.176 1.548 . . . . 0.0 111.907 -170.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.48 -72.38 0.31 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -178.031 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.88 161.52 22.64 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.219 -175.342 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.8 m -107.77 152.84 23.82 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.332 1.02 . . . . 0.0 110.644 -177.302 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -131.94 117.96 19.14 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.1 138.96 38.36 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.087 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -112.02 103.32 55.18 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 116.701 -1.619 . . . . 0.0 109.307 -168.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.16 162.06 31.84 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.467 1.445 . . . . 0.0 114.191 -164.363 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 C--N 1.356 0.88 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.867 169.121 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.3 t -135.67 138.9 47.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-N 119.566 1.683 . . . . 0.0 106.948 175.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.3 143.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-O 116.608 -1.663 . . . . 0.0 106.736 -176.411 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -137.3 138.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 120.306 1.412 . . . . 0.0 107.531 172.261 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.47 62.24 0.93 Allowed 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.038 0.835 . . . . 0.0 109.05 -171.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.45 140.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 117.803 -1.094 . . . . 0.0 109.839 -176.297 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -72.13 95.78 1.69 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.48 165.09 17.43 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 118.971 0.805 . . . . 0.0 109.968 -176.725 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -119.5 -49.4 2.36 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.485 1.116 . . . . 0.0 108.894 164.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 pt -122.03 138.61 51.7 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 CA-C-O 123.786 1.755 . . . . 0.0 113.574 -179.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -55.54 -36.11 66.42 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.757 -1.214 . . . . 0.0 108.273 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -61.06 -40.37 93.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.98 1.264 . . . . 0.0 111.939 178.255 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -70.06 -25.7 63.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 121.023 1.738 . . . . 0.0 111.266 -175.055 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.95 -22.37 33.79 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.432 1.469 . . . . 0.0 113.049 169.354 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.38 -39.05 88.84 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.537 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.03 -63.29 2.47 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-N 122.163 2.256 . . . . 0.0 112.078 178.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.53 -26.27 40.38 Favored 'Trans proline' 0 C--N 1.356 0.961 0 CA-C-N 124.82 2.757 . . . . 0.0 112.767 -176.004 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -58.15 -42.16 85.32 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.111 1.778 . . . . 0.0 106.907 173.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -63.17 -55.62 23.6 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.089 -1.632 . . . . 0.0 107.706 -178.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -51.84 -38.12 54.64 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.09 0.859 . . . . 0.0 111.676 -171.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.13 -57.95 7.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.97 52.2 0.01 OUTLIER Glycine 0 C--N 1.352 1.453 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.142 176.133 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mmt -117.38 137.0 52.76 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.705 -171.087 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -74.99 -32.21 61.6 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 115.885 -2.007 . . . . 0.0 107.749 176.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -135.31 170.0 16.61 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-N 121.371 1.896 . . . . 0.0 112.911 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.36 130.43 2.33 Favored Glycine 0 C--N 1.358 1.799 0 CA-C-O 117.368 -1.796 . . . . 0.0 112.392 175.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.29 146.18 44.37 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 115.808 -2.044 . . . . 0.0 108.923 -171.015 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.93 134.83 54.57 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 121.797 2.09 . . . . 0.0 109.477 170.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 57.8 mtt -126.77 159.52 33.55 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.213 -1.375 . . . . 0.0 108.209 173.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.2 t30 47.65 -102.82 0.09 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 116.872 -1.537 . . . . 0.0 108.208 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.84 23.89 2.45 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-O 116.333 -2.37 . . . . 0.0 112.895 171.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -125.23 151.6 45.68 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.764 2.282 . . . . 0.0 107.82 -177.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 m -105.96 157.04 17.78 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.21 0.944 . . . . 0.0 111.046 -173.002 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -130.76 117.53 19.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -175.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.1 m -102.49 130.02 49.18 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 178.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.5 m -112.0 105.37 56.43 Favored Pre-proline 0 C--N 1.359 0.992 0 CA-C-O 116.241 -1.838 . . . . 0.0 109.241 -169.02 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.97 157.61 34.51 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 122.016 1.811 . . . . 0.0 112.715 -166.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tttt . . . . . 0 C--N 1.357 0.902 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.813 173.199 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.965 0 CA-C-O 117.422 -1.766 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -128.31 113.47 30.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 119.398 1.599 . . . . 0.0 106.879 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.1 mp -103.83 149.62 7.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 178.873 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.9 pt -131.08 144.54 37.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -102.66 71.25 1.17 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -172.802 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -118.93 140.99 40.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.454 -177.089 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.69 94.18 0.09 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 p -83.4 164.1 20.16 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 119.733 1.151 . . . . 0.0 108.012 177.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -125.06 -47.62 1.77 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.301 1.001 . . . . 0.0 110.874 168.59 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -118.41 131.39 71.32 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 123.262 1.506 . . . . 0.0 111.961 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -55.55 -32.31 62.88 Favored 'General case' 0 CA--C 1.505 -0.759 0 O-C-N 120.57 -1.331 . . . . 0.0 108.888 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.49 -39.37 93.26 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.492 1.496 . . . . 0.0 111.509 176.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.32 -23.63 61.19 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.72 -2.086 . . . . 0.0 112.442 -176.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -83.99 -19.4 34.61 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 121.44 1.927 . . . . 0.0 112.799 166.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.42 -37.92 83.79 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.631 -1.652 . . . . 0.0 107.814 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -62.54 4.64 Favored Pre-proline 0 C--N 1.356 0.875 0 CA-C-N 122.732 2.514 . . . . 0.0 112.853 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.86 -29.51 50.04 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 124.921 2.793 . . . . 0.0 111.438 -176.311 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.35 -32.45 72.35 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.295 1.407 . . . . 0.0 109.957 175.242 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.71 -45.45 71.52 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.472 1.487 . . . . 0.0 108.884 176.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.673 0.669 . . . . 0.0 109.485 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.86 77.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.22 60.96 0.45 Allowed Glycine 0 C--N 1.354 1.55 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mmt -108.31 144.07 36.33 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.593 -174.471 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -80.33 -29.06 38.02 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.071 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -128.36 154.2 46.24 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 120.342 1.428 . . . . 0.0 111.473 176.121 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.63 92.72 0.17 Allowed Glycine 0 C--N 1.36 1.908 0 CA-C-O 117.335 -1.814 . . . . 0.0 108.832 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -128.93 152.36 48.65 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.44 -1.743 . . . . 0.0 108.991 -177.025 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -116.16 149.74 38.57 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 120.038 1.29 . . . . 0.0 107.949 171.465 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' GLY . 24.2 mmt -111.7 135.32 52.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 167.531 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -42.93 92.31 0.01 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.737 1.153 . . . . 0.0 111.404 -170.036 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.52 -67.8 0.4 Allowed Glycine 0 C--N 1.355 1.606 0 CA-C-O 118.24 -1.311 . . . . 0.0 109.909 -178.105 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -127.68 156.2 42.73 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 116.106 -1.902 . . . . 0.0 109.892 -171.202 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.8 m -99.97 142.56 31.28 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 120.25 1.386 . . . . 0.0 111.888 -176.589 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -128.6 106.51 9.01 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -174.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.7 m -115.34 158.91 21.73 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.533 176.382 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -128.34 136.62 29.36 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-O 115.37 -2.252 . . . . 0.0 109.173 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.07 164.81 33.46 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.694 1.641 . . . . 0.0 112.643 -170.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.357 0.905 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.376 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.925 0 CA-C-O 117.263 -1.854 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.2 123.76 64.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.6 mp -96.99 144.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 179.581 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.18 141.49 45.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 174.705 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -101.47 67.04 1.12 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.964 0.802 . . . . 0.0 109.103 -172.283 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -111.39 143.27 21.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.485 -1.245 . . . . 0.0 109.233 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -72.49 84.07 1.11 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.9 p -86.92 159.16 19.13 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.404 -179.08 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -122.14 -47.26 2.15 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.711 -1.138 . . . . 0.0 111.128 175.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.58 145.17 26.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.326 0 CA-C-O 123.747 1.737 . . . . 0.0 113.703 -176.697 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -59.25 -40.99 87.74 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.868 -175.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 3.2 tmt_? -65.94 -34.69 78.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.242 -178.402 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.22 -26.79 64.03 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.535 1.97 . . . . 0.0 110.94 -178.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -84.36 -16.61 42.23 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.883 1.674 . . . . 0.0 113.32 168.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.84 -36.74 84.31 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.692 -1.623 . . . . 0.0 107.103 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -56.69 -59.04 13.52 Favored Pre-proline 0 C--N 1.355 0.809 0 CA-C-N 122.237 2.289 . . . . 0.0 113.931 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.76 -29.9 41.9 Favored 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 125.704 3.073 . . . . 0.0 112.298 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.24 -52.66 57.64 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.657 1.571 . . . . 0.0 109.14 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -35.82 80.07 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.283 -1.511 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.17 -48.6 81.05 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.774 0.715 . . . . 0.0 109.922 -175.509 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.98 9.86 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.106 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.04 51.29 0.01 OUTLIER Glycine 0 C--N 1.353 1.499 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.573 176.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.55 157.92 18.04 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.61 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -97.37 -22.41 16.64 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 116.243 -1.836 . . . . 0.0 110.275 175.763 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.26 168.1 25.03 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 121.834 2.106 . . . . 0.0 112.312 171.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.99 150.98 20.88 Favored Glycine 0 C--N 1.359 1.849 0 CA-C-O 117.68 -1.622 . . . . 0.0 113.314 170.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -136.57 159.26 42.35 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 118.879 1.34 . . . . 0.0 110.851 -172.63 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -117.87 109.87 17.06 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.103 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -120.79 149.07 43.13 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.528 -1.701 . . . . 0.0 108.054 -175.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 t30 48.61 -111.47 0.44 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.344 -1.789 . . . . 0.0 107.495 -176.313 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.8 17.93 4.89 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 116.933 -2.037 . . . . 0.0 112.467 172.293 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -118.9 167.23 11.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 120.671 2.236 . . . . 0.0 106.459 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.5 m -117.4 159.13 23.27 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.597 1.09 . . . . 0.0 110.399 179.081 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -127.16 116.34 20.49 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -177.627 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.0 m -103.17 122.17 44.17 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 176.305 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 p -107.34 116.0 58.73 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 115.888 -2.006 . . . . 0.0 105.879 -173.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.82 167.24 27.76 Favored 'Trans proline' 0 C--N 1.363 1.312 0 CA-C-N 121.328 1.51 . . . . 0.0 111.772 -166.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HG2' ' OXT' ' A' ' 38' ' ' LYS . 87.1 tttt . . . . . 0 C--N 1.354 0.78 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.327 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.983 0 CA-C-O 117.252 -1.86 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.16 108.3 12.51 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-N 119.572 1.686 . . . . 0.0 106.484 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.1 mt -86.22 146.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 pt -128.65 139.74 51.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 120.092 1.315 . . . . 0.0 107.895 174.373 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -104.46 69.26 0.9 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 119.109 0.868 . . . . 0.0 109.002 -173.041 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -112.54 145.47 18.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.575 -177.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -69.39 88.04 0.46 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 176.223 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -86.92 152.42 22.45 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.343 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -45.18 2.96 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.587 1.179 . . . . 0.0 109.455 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -125.96 145.18 33.84 Favored 'Isoleucine or valine' 0 C--N 1.37 1.499 0 CA-C-O 124.172 1.939 . . . . 0.0 114.252 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.6 p -60.66 -34.66 74.63 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 120.536 -1.352 . . . . 0.0 109.143 -178.556 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.36 98.41 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.163 1.347 . . . . 0.0 110.084 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.5 -27.83 67.33 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.418 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.22 -18.05 43.93 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.306 1.412 . . . . 0.0 113.691 168.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -67.61 -43.45 80.42 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.168 -1.873 . . . . 0.0 107.974 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.295 26.6 mp0 -52.61 -61.61 4.41 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 122.883 2.583 . . . . 0.0 112.37 178.559 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.69 -28.14 44.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 CA-C-N 124.48 2.636 . . . . 0.0 112.705 -174.404 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -62.61 -44.94 95.04 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.583 1.538 . . . . 0.0 107.228 176.557 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.06 -46.5 90.44 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.815 -1.803 . . . . 0.0 108.83 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -49.03 -49.76 39.56 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.24 -177.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.36 42.69 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.519 -178.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.76 52.6 0.02 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 177.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.1 mmt -114.34 143.14 45.37 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.583 -168.198 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -22.16 24.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -176.114 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -148.88 170.03 19.2 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 121.838 2.108 . . . . 0.0 112.967 172.306 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.89 149.59 19.27 Favored Glycine 0 C--N 1.361 1.972 0 CA-C-O 117.686 -1.619 . . . . 0.0 113.331 169.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -136.42 159.03 43.01 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 117.21 -1.376 . . . . 0.0 110.659 -171.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.4 t -116.89 109.77 17.48 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.239 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -117.68 145.04 44.68 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 107.795 -175.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 49.19 -111.19 0.45 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.292 -1.814 . . . . 0.0 107.515 -176.143 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.41 18.95 4.88 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.945 -2.031 . . . . 0.0 112.567 173.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -122.03 166.05 15.09 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.717 2.258 . . . . 0.0 106.757 178.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.49 160.55 20.44 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.12 0.873 . . . . 0.0 110.503 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -129.62 121.59 27.36 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -177.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -105.83 127.92 53.41 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.593 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -115.26 117.32 41.23 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.54 -2.172 . . . . 0.0 108.998 -170.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.34 155.4 51.15 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.71 1.607 . . . . 0.0 112.948 -168.107 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? . . . . . 0 C--N 1.358 0.958 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 171.569 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.63 88.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.845 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.53 140.69 17.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 pt -142.24 117.58 5.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.252 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -88.7 89.84 8.16 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.769 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.5 142.05 43.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -65.89 91.18 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -177.41 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -82.42 163.34 21.72 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.667 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.15 -44.31 2.5 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.75 1.282 . . . . 0.0 110.143 165.326 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.62 142.55 39.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.423 1.583 . . . . 0.0 112.995 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -62.11 -28.98 70.01 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.952 -1.718 . . . . 0.0 110.016 -178.853 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -40.19 96.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 120.242 1.383 . . . . 0.0 109.187 176.891 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -74.18 -22.5 59.38 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 121.015 1.734 . . . . 0.0 111.973 -176.668 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -76.23 -27.81 56.93 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.755 1.616 . . . . 0.0 111.498 167.252 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 tp -66.36 -39.17 88.99 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-O 115.456 -2.211 . . . . 0.0 109.087 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 10.8 mp0 -46.07 -68.15 0.32 Allowed Pre-proline 0 C--N 1.359 0.986 0 CA-C-N 124.108 3.14 . . . . 0.0 112.047 176.18 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.48 -28.87 45.46 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 124.507 2.645 . . . . 0.0 112.522 -174.587 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.3 m -58.71 -50.22 74.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.692 1.587 . . . . 0.0 108.434 178.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.77 -46.28 90.24 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.181 -0.95 . . . . 0.0 109.091 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -53.68 -46.4 70.65 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.688 -172.441 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.27 6.5 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.66 52.42 0.01 OUTLIER Glycine 0 C--N 1.354 1.536 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.447 178.054 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.26 149.69 28.28 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.151 -173.934 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -86.86 -29.69 22.01 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 115.035 -2.412 . . . . 0.0 107.572 173.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.44 157.1 43.54 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 121.918 2.145 . . . . 0.0 112.951 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.05 118.16 1.78 Allowed Glycine 0 C--N 1.361 1.942 0 CA-C-O 117.271 -1.849 . . . . 0.0 109.169 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -136.17 145.63 45.98 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 115.374 -2.25 . . . . 0.0 109.324 -173.534 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -124.41 154.59 40.19 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.514 2.416 . . . . 0.0 109.099 169.744 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.02 134.14 55.05 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 164.029 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -46.46 93.82 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 CA-C-N 120.037 1.289 . . . . 0.0 109.583 -171.333 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.36 -73.07 0.28 Allowed Glycine 0 C--N 1.353 1.51 0 N-CA-C 108.764 -1.735 . . . . 0.0 108.764 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -122.07 148.34 44.98 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.05 1.425 . . . . 0.0 112.137 -173.84 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.1 m -83.18 151.39 25.71 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.31 115.51 17.04 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 174.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.3 m -102.6 140.91 36.26 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 175.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.1 m -123.96 113.63 28.29 Favored Pre-proline 0 C--N 1.359 0.997 0 CA-C-O 116.634 -1.651 . . . . 0.0 108.066 -174.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.08 162.75 41.59 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 120.732 1.297 . . . . 0.0 111.763 -163.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.356 0.864 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.494 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.972 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -116.12 92.08 2.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.8 mm -75.49 146.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 177.617 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.33 137.92 45.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 171.126 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -100.1 69.7 1.52 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -170.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -123.78 138.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.334 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 99.59 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.498 -1.239 . . . . 0.0 108.34 178.401 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -86.52 162.46 18.04 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 121.218 1.826 . . . . 0.0 107.863 177.169 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -55.11 1.53 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 164.833 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -107.72 123.05 62.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 CA-C-O 123.117 1.436 . . . . 0.0 111.339 -178.188 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -51.0 -30.69 15.83 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.287 -1.508 . . . . 0.0 109.627 177.399 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.79 98.35 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.522 1.51 . . . . 0.0 111.307 177.627 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.33 -24.72 64.86 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 116.196 -1.859 . . . . 0.0 112.051 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.07 -18.86 41.64 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.741 1.609 . . . . 0.0 112.8 168.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -47.63 76.55 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.856 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.252 1.0 OUTLIER -44.73 -64.23 0.91 Allowed Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 121.728 2.058 . . . . 0.0 113.218 -176.669 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 -30.68 56.53 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 124.728 2.724 . . . . 0.0 112.089 -177.092 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.21 -44.54 79.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.629 1.559 . . . . 0.0 108.657 176.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -67.61 -45.97 73.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -178.501 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -51.19 -50.53 58.85 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.725 0.693 . . . . 0.0 110.049 -176.467 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -54.59 44.26 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.801 -177.428 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.58 53.49 0.02 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 121.229 -0.51 . . . . 0.0 111.948 177.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.35 145.45 32.84 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.462 -174.041 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -88.86 -25.48 22.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.393 -2.241 . . . . 0.0 107.255 175.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -137.86 170.99 15.1 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-N 121.329 1.877 . . . . 0.0 111.263 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.77 135.59 4.08 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.273 -1.293 . . . . 0.0 111.556 174.126 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -133.06 143.5 49.4 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 115.367 -2.254 . . . . 0.0 106.724 -174.437 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.255 37.1 t -109.03 140.67 42.25 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 121.894 2.134 . . . . 0.0 105.775 168.928 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASN . 69.4 mtp -113.41 104.35 12.2 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 174.87 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' MET . 41.9 t30 -17.65 89.2 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.025 1.453 . . . . 0.0 114.044 -171.521 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.49 -70.21 0.42 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.476 -1.85 . . . . 0.0 108.476 178.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -110.38 157.61 19.35 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 116.615 -1.659 . . . . 0.0 108.073 -177.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.7 m -106.21 155.27 19.64 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.594 1.088 . . . . 0.0 110.162 177.374 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -126.52 114.57 18.3 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.3 133.34 44.85 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 177.04 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -116.31 104.69 51.65 Favored Pre-proline 0 C--N 1.357 0.931 0 CA-C-O 116.726 -1.607 . . . . 0.0 108.55 -168.477 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.33 158.1 58.99 Favored 'Trans proline' 0 C--N 1.365 1.411 0 CA-C-N 120.569 1.239 . . . . 0.0 110.689 -166.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--N 1.355 0.835 0 C-N-CA 118.13 -1.428 . . . . 0.0 108.815 177.047 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 CA--C 1.514 -0.427 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mm -93.68 149.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 pt -135.83 140.04 44.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -101.26 73.02 1.47 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -170.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.47 141.72 39.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.473 -1.251 . . . . 0.0 109.737 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -65.11 96.24 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -83.93 165.05 19.0 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -124.91 -47.75 1.79 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.403 1.064 . . . . 0.0 110.415 167.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt -118.24 134.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 CA-C-O 123.351 1.548 . . . . 0.0 112.33 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -58.63 -29.35 66.45 Favored 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 120.664 -1.273 . . . . 0.0 108.797 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -36.24 82.25 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.7 1.591 . . . . 0.0 111.849 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -72.21 -25.19 61.56 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 115.895 -2.003 . . . . 0.0 111.749 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.3 m -84.18 -17.81 38.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 121.252 1.842 . . . . 0.0 113.085 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -42.14 86.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 116.884 -1.531 . . . . 0.0 107.571 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -61.15 6.82 Favored Pre-proline 0 C--N 1.355 0.819 0 CA-C-N 121.747 2.067 . . . . 0.0 112.903 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.92 -28.89 58.18 Favored 'Trans proline' 0 C--N 1.357 1.005 0 CA-C-N 124.971 2.811 . . . . 0.0 111.505 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.15 -34.44 76.4 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.185 1.357 . . . . 0.0 109.922 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -69.56 -47.85 62.26 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.699 1.591 . . . . 0.0 108.111 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.74 -48.81 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.433 0.56 . . . . 0.0 110.221 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.65 83.41 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.16 62.03 0.25 Allowed Glycine 0 C--N 1.354 1.541 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.5 mmt -108.6 143.22 37.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 117.802 -1.094 . . . . 0.0 108.572 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.34 -40.22 62.31 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.383 -1.77 . . . . 0.0 107.048 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -115.54 152.27 33.32 Favored 'General case' 0 C--N 1.365 1.245 0 CA-C-N 120.205 1.366 . . . . 0.0 111.821 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.18 0.28 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 107.753 -2.139 . . . . 0.0 107.753 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.99 136.42 50.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 114.947 -2.454 . . . . 0.0 108.434 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 16.4 t -113.38 140.93 47.64 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-N 121.906 2.139 . . . . 0.0 107.088 171.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLY . 31.8 mmt -108.48 130.61 55.26 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 103.171 -2.899 . . . . 0.0 103.171 171.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -41.12 91.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.633 1.208 . . . . 0.0 111.574 -168.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 149.73 -68.92 0.33 Allowed Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.119 -1.378 . . . . 0.0 109.783 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -125.84 157.22 38.13 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.518 -1.706 . . . . 0.0 110.17 -172.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.2 m -101.74 139.06 37.9 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 119.616 1.098 . . . . 0.0 110.743 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.6 105.5 8.52 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.8 m -114.27 156.62 24.02 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.068 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.2 p -121.84 135.15 25.01 Favored Pre-proline 0 C--N 1.36 1.059 0 CA-C-O 115.432 -2.223 . . . . 0.0 109.303 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.2 153.44 62.16 Favored 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 121.509 1.575 . . . . 0.0 110.579 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.356 0.861 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.048 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 CA--C 1.513 -0.465 0 CA-C-O 117.538 -1.22 . . . . 0.0 107.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -116.15 148.33 18.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -128.55 137.32 57.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -98.14 71.22 2.11 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.824 1.193 . . . . 0.0 108.429 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -113.7 138.87 41.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.508 -1.234 . . . . 0.0 108.555 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.86 103.34 0.7 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -88.17 168.83 12.42 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 120.161 1.346 . . . . 0.0 107.946 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -120.47 -51.44 2.18 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.302 1.001 . . . . 0.0 109.186 165.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.26 143.97 31.84 Favored 'Isoleucine or valine' 0 C--N 1.368 1.406 0 CA-C-O 124.032 1.872 . . . . 0.0 113.892 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -61.31 -33.8 74.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.468 -1.253 . . . . 0.0 108.563 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -37.91 89.18 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.516 1.507 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.01 -26.46 62.23 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 115.574 -2.155 . . . . 0.0 111.998 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.39 -21.58 33.0 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 121.538 1.972 . . . . 0.0 113.275 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.3 -34.94 79.29 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.026 -1.464 . . . . 0.0 107.506 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -57.58 -63.45 3.77 Favored Pre-proline 0 C--N 1.354 0.773 0 CA-C-N 121.785 2.084 . . . . 0.0 112.852 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.6 -30.51 51.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 124.966 2.809 . . . . 0.0 111.931 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.6 m -59.49 -39.36 83.52 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.812 1.642 . . . . 0.0 110.058 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.73 89.83 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.705 -1.247 . . . . 0.0 109.549 177.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.78 -48.59 81.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 118.927 0.785 . . . . 0.0 109.497 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.23 81.56 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.408 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.24 59.82 0.28 Allowed Glycine 0 C--N 1.354 1.547 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.9 mmt -105.17 144.12 32.4 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.729 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.43 -26.83 41.76 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.545 -1.693 . . . . 0.0 108.442 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.35 158.24 44.87 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 120.41 1.459 . . . . 0.0 112.781 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.92 101.7 0.23 Allowed Glycine 0 C--N 1.363 2.064 0 CA-C-O 116.715 -2.158 . . . . 0.0 111.572 -173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 162.7 30.21 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.399 2.099 . . . . 0.0 110.437 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.3 t -120.9 143.99 48.66 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-O 117.542 -1.218 . . . . 0.0 108.795 165.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 30.9 mmt -109.24 125.45 52.27 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 168.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -39.08 93.72 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.068 1.304 . . . . 0.0 111.243 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -73.94 0.29 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -175.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -125.86 162.05 26.04 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.012 -1.47 . . . . 0.0 110.372 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 56.2 m -103.52 145.99 29.19 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.035 0.834 . . . . 0.0 112.329 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -130.3 102.81 6.36 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.9 m -115.83 162.65 17.0 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.181 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -132.77 138.96 33.14 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.542 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.85 166.08 30.98 Favored 'Trans proline' 0 C--N 1.364 1.343 0 CA-C-N 121.777 1.67 . . . . 0.0 112.522 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? . . . . . 0 C--N 1.357 0.902 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.521 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.52 150.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.15 133.64 47.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -99.45 75.5 1.97 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.82 141.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.645 -1.169 . . . . 0.0 108.436 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.79 94.66 0.47 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 p -82.09 164.4 21.38 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -121.74 -39.79 2.6 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.278 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.87 137.85 56.15 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-O 123.729 1.728 . . . . 0.0 113.937 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.0 p -58.22 -34.98 71.01 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.489 -1.382 . . . . 0.0 108.745 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -62.96 -38.61 91.78 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.478 1.49 . . . . 0.0 111.495 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.79 -25.76 63.03 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.067 -1.92 . . . . 0.0 111.478 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.6 m -84.5 -17.52 38.77 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.947 1.703 . . . . 0.0 113.714 168.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.31 -42.0 80.06 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.432 -1.271 . . . . 0.0 107.987 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.63 -62.04 4.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 116.256 -1.83 . . . . 0.0 111.959 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.37 -29.94 53.85 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.803 2.751 . . . . 0.0 111.547 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.18 -48.78 78.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.163 1.347 . . . . 0.0 109.983 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -59.78 -46.98 87.51 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.75 2.068 . . . . 0.0 109.227 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -49.19 -46.47 45.6 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.105 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -60.91 2.12 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.08 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.49 53.92 0.01 OUTLIER Glycine 0 C--N 1.353 1.516 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.349 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.4 mmt -110.3 144.08 39.55 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.947 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -85.98 -31.59 21.99 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 115.633 -2.127 . . . . 0.0 109.581 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -114.93 149.37 37.38 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 121.533 1.969 . . . . 0.0 110.193 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.5 98.45 0.22 Allowed Glycine 0 C--N 1.359 1.812 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 147.51 50.22 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 115.63 -2.129 . . . . 0.0 108.084 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -115.88 143.91 44.77 Favored 'General case' 0 C--N 1.362 1.142 0 CA-C-N 121.104 1.774 . . . . 0.0 107.418 166.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 29.5 mmt -109.63 135.27 50.87 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 103.145 -2.909 . . . . 0.0 103.145 168.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -45.13 94.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.643 1.111 . . . . 0.0 110.36 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -69.47 0.35 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -176.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -131.71 159.86 37.15 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.735 -1.602 . . . . 0.0 110.383 -172.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 34.0 m -102.09 140.65 36.09 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.241 0.928 . . . . 0.0 111.347 -176.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -128.03 107.63 9.99 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -174.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.69 162.15 17.67 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.932 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -130.7 139.29 35.16 Favored Pre-proline 0 C--N 1.362 1.121 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.238 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.08 157.77 60.4 Favored 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 121.601 1.607 . . . . 0.0 111.278 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--N 1.355 0.805 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.012 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -87.27 152.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 140.86 45.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -102.46 66.16 0.96 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -172.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.34 143.8 21.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.219 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -76.14 92.67 3.25 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -174.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.0 167.54 19.69 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 119.715 1.143 . . . . 0.0 109.108 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -122.03 -46.45 2.2 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.879 1.362 . . . . 0.0 110.219 163.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 pt -123.16 144.78 31.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 CA-C-O 123.986 1.851 . . . . 0.0 113.928 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.8 t -60.96 -37.89 84.01 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 120.744 -1.223 . . . . 0.0 108.431 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -61.86 -35.88 79.61 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.823 1.192 . . . . 0.0 112.114 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.1 -25.31 59.72 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.883 -2.008 . . . . 0.0 111.622 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.8 m -82.94 -19.91 36.3 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.3 1.863 . . . . 0.0 113.503 167.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.58 -44.62 81.74 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.725 -1.607 . . . . 0.0 107.662 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -61.37 5.46 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 122.431 2.378 . . . . 0.0 113.632 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.06 -30.07 65.91 Favored 'Trans proline' 0 C--N 1.357 1.014 0 CA-C-N 124.958 2.807 . . . . 0.0 111.123 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.3 m -62.0 -37.18 83.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.306 1.412 . . . . 0.0 109.932 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.18 -45.8 83.41 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.843 -1.785 . . . . 0.0 108.557 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -52.73 -49.2 65.89 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.479 0.582 . . . . 0.0 110.301 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.52 95.16 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.121 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.07 60.9 0.23 Allowed Glycine 0 C--N 1.354 1.569 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mmt -109.6 143.97 38.56 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.037 -0.982 . . . . 0.0 108.767 -173.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -79.86 -24.41 41.28 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 116.567 -1.682 . . . . 0.0 108.043 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.22 159.47 42.13 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.252 1.387 . . . . 0.0 112.894 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.11 103.27 0.29 Allowed Glycine 0 C--N 1.361 1.94 0 CA-C-O 116.938 -2.035 . . . . 0.0 109.913 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -129.26 150.47 50.62 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 115.282 -2.294 . . . . 0.0 108.295 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.257 36.7 t -108.98 127.5 54.13 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.604 2.002 . . . . 0.0 107.285 171.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 95.3 mmm -124.12 124.97 43.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.15 -156.18 0.31 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.4 -4.05 63.6 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 115.385 -2.897 . . . . 0.0 113.896 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -106.4 161.82 14.24 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 122.571 3.186 . . . . 0.0 109.564 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.8 m -110.44 144.95 38.46 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.386 0.994 . . . . 0.0 109.87 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.85 110.2 12.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 117.159 -1.401 . . . . 0.0 107.265 -171.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -116.96 156.99 26.49 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.575 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.7 p -123.56 136.8 27.64 Favored Pre-proline 0 C--N 1.36 1.061 0 CA-C-O 115.055 -2.402 . . . . 0.0 108.025 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.23 161.06 41.34 Favored 'Trans proline' 0 C--N 1.363 1.33 0 CA-C-N 122.118 1.792 . . . . 0.0 113.297 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.358 0.945 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 171.553 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.8 mt -87.05 141.87 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -136.54 129.66 45.92 Favored 'Isoleucine or valine' 0 C--N 1.36 1.029 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -98.61 78.07 2.34 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -171.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.28 143.0 37.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.552 -1.214 . . . . 0.0 109.397 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -60.36 86.67 0.01 OUTLIER 'General case' 0 C--N 1.358 0.971 0 CA-C-N 119.497 1.044 . . . . 0.0 108.937 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -81.42 157.13 25.06 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 120.645 1.566 . . . . 0.0 108.18 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -123.6 -47.86 1.95 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.433 1.083 . . . . 0.0 110.527 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -117.3 128.19 74.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 CA-C-O 123.39 1.567 . . . . 0.0 111.27 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -55.41 -31.84 62.18 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 117.215 -1.374 . . . . 0.0 108.469 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -61.67 -40.83 96.32 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.685 1.584 . . . . 0.0 111.429 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.46 -22.39 62.69 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.163 -176.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -84.61 -19.87 32.3 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.995 1.725 . . . . 0.0 113.38 166.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.19 -39.24 78.8 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 116.551 -1.69 . . . . 0.0 107.748 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.29 -60.45 6.86 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 123.053 2.661 . . . . 0.0 112.45 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.6 -29.13 52.46 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 125.106 2.859 . . . . 0.0 111.799 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.2 m -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.803 1.638 . . . . 0.0 111.034 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -35.86 81.53 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 118.93 -2.356 . . . . 0.0 108.436 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.87 -48.15 80.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.16 69.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.63 57.21 0.07 OUTLIER Glycine 0 C--N 1.354 1.537 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mmm -111.13 148.87 31.76 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.223 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -83.91 -31.7 25.52 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.571 -1.681 . . . . 0.0 109.403 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -127.55 153.81 45.93 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.286 1.403 . . . . 0.0 111.969 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 94.09 0.18 Allowed Glycine 0 C--N 1.363 2.051 0 CA-C-O 117.472 -1.738 . . . . 0.0 109.598 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 151.48 51.83 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 115.944 -1.979 . . . . 0.0 109.979 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 t -120.23 156.29 31.46 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 121.045 1.748 . . . . 0.0 110.264 173.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLY . 10.3 mmt -113.78 136.68 52.59 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 104.251 -2.499 . . . . 0.0 104.251 161.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -43.89 92.12 0.0 OUTLIER 'General case' 0 C--N 1.358 0.948 0 O-C-N 124.441 1.088 . . . . 0.0 110.553 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.74 -71.58 0.29 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -175.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -131.58 150.32 52.19 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.074 -1.441 . . . . 0.0 111.233 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.3 m -95.62 146.85 24.16 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 119.08 0.855 . . . . 0.0 111.69 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -132.47 106.99 8.19 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -114.03 155.23 26.3 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.579 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.9 p -126.87 137.7 31.09 Favored Pre-proline 0 C--N 1.361 1.107 0 CA-C-O 115.794 -2.051 . . . . 0.0 108.789 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.24 161.82 39.82 Favored 'Trans proline' 0 C--N 1.364 1.382 0 CA-C-N 121.787 1.674 . . . . 0.0 114.329 -166.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 tttp . . . . . 0 C--N 1.359 0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 173.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 CA--C 1.514 -0.414 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.76 140.76 16.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 104.921 -2.251 . . . . 0.0 104.921 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -126.34 122.44 61.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 167.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -94.11 87.36 5.27 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.425 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.44 142.25 29.27 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 CA-C-N 119.657 1.117 . . . . 0.0 113.63 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 88.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.902 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 p -84.07 166.04 18.03 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 119.605 1.093 . . . . 0.0 109.671 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -125.83 -48.44 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.6 -1.19 . . . . 0.0 111.0 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -118.9 133.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-O 123.476 1.608 . . . . 0.0 112.833 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.5 p -57.22 -35.18 69.34 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 120.622 -1.298 . . . . 0.0 108.17 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -61.3 -41.04 96.31 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.274 1.397 . . . . 0.0 111.473 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.86 -24.94 63.51 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.07 -1.919 . . . . 0.0 111.961 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -84.64 -20.15 31.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.922 1.692 . . . . 0.0 113.474 168.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -67.11 -40.27 86.83 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.837 -1.554 . . . . 0.0 107.799 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.58 -62.76 3.21 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-N 122.487 2.403 . . . . 0.0 112.632 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.69 -31.23 49.78 Favored 'Trans proline' 0 C--N 1.358 1.075 0 CA-C-N 124.909 2.789 . . . . 0.0 112.101 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.94 -37.25 76.3 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.021 1.282 . . . . 0.0 109.273 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -69.08 -48.55 62.4 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.45 1.477 . . . . 0.0 108.514 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -44.22 -51.55 8.14 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 118.461 0.573 . . . . 0.0 110.4 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -51.53 62.01 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.727 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.85 60.74 0.07 OUTLIER Glycine 0 C--N 1.355 1.626 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -103.04 153.8 19.9 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -85.47 -34.92 21.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-O 116.025 -1.94 . . . . 0.0 107.558 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -127.31 155.87 42.86 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 120.259 1.391 . . . . 0.0 110.742 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.01 97.22 0.19 Allowed Glycine 0 C--N 1.36 1.907 0 CA-C-O 116.711 -2.161 . . . . 0.0 111.421 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -132.79 160.23 37.46 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 120.417 2.108 . . . . 0.0 111.135 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 8.6 t -118.48 152.58 35.67 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 169.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.2 mmt -113.03 139.13 48.93 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 165.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -45.26 93.25 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.79 1.177 . . . . 0.0 110.541 -170.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.15 -67.64 0.39 Allowed Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.091 -1.394 . . . . 0.0 110.222 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -133.83 153.06 52.0 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.787 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -99.46 139.18 35.49 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.699 1.136 . . . . 0.0 110.489 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -133.33 114.2 13.46 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.952 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -117.88 162.41 18.16 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.003 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -122.94 136.51 26.93 Favored Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.522 -2.18 . . . . 0.0 108.036 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.77 162.47 41.09 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.098 1.785 . . . . 0.0 111.623 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.83 ' OXT' ' HD3' ' A' ' 38' ' ' LYS . 8.9 tmtm? . . . . . 0 C--N 1.355 0.844 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 171.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--O 1.222 -0.353 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.02 143.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.1 pt -139.85 138.78 38.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 119.737 1.153 . . . . 0.0 109.204 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -102.15 74.05 1.41 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -126.57 141.05 47.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.527 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -62.68 98.85 0.13 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.5 p -85.03 163.73 18.67 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 120.701 1.591 . . . . 0.0 107.885 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HZ1' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -122.64 -50.27 1.98 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.322 1.013 . . . . 0.0 109.345 168.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.61 138.05 53.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.26 0 CA-C-O 123.691 1.71 . . . . 0.0 112.795 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -36.11 72.53 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.6 -1.313 . . . . 0.0 108.125 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.69 -40.44 92.2 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.922 1.237 . . . . 0.0 111.328 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.82 -23.51 62.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.116 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.51 -21.49 32.75 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.094 1.77 . . . . 0.0 112.968 167.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 tp -66.74 -36.52 82.66 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.457 -1.735 . . . . 0.0 107.842 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.23 -62.04 5.5 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-N 123.348 2.794 . . . . 0.0 112.99 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.75 -29.47 68.68 Favored 'Trans proline' 0 C--N 1.354 0.856 0 CA-C-N 125.361 2.95 . . . . 0.0 111.127 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.0 m -64.67 -43.03 94.9 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.158 1.345 . . . . 0.0 111.472 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.9 2.136 . . . . 0.0 109.647 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.37 -49.05 78.5 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.106 0.866 . . . . 0.0 109.072 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.93 79.29 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.116 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 55.24 0.09 OUTLIER Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.0 mmt -109.9 140.2 44.13 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.19 -40.78 51.48 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -113.81 153.45 29.1 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 120.672 1.578 . . . . 0.0 112.486 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.71 95.41 0.17 Allowed Glycine 0 C--N 1.361 1.957 0 CA-C-O 117.103 -1.943 . . . . 0.0 110.032 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -131.28 154.85 48.07 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.747 1.774 . . . . 0.0 110.501 -176.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.68 149.33 39.98 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.37 130.56 56.84 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 167.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -35.86 93.44 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.546 1.153 . . . . 0.0 112.245 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.03 -69.24 0.4 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 118.349 -1.251 . . . . 0.0 110.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -123.45 155.04 38.21 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 116.489 -1.719 . . . . 0.0 109.352 -170.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -103.07 143.18 32.92 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.989 1.268 . . . . 0.0 111.427 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -134.7 112.97 11.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.824 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -118.03 162.19 18.58 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.722 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.9 p -129.66 134.12 25.84 Favored Pre-proline 0 C--N 1.361 1.106 0 CA-C-O 115.721 -2.085 . . . . 0.0 109.662 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.07 154.6 52.53 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.341 1.361 . . . . 0.0 111.524 -170.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 C--N 1.356 0.849 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 172.5 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 CA--C 1.511 -0.534 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 3' ' ' ILE . 2.4 mp -94.08 146.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.6 pt -135.14 140.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -99.48 76.47 2.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.74 142.47 40.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.74 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -60.28 91.42 0.02 OUTLIER 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.552 1.069 . . . . 0.0 109.201 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -80.87 160.08 24.85 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 120.96 1.709 . . . . 0.0 108.316 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.56 -53.7 1.78 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 pt -116.17 131.66 68.02 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.54 1.638 . . . . 0.0 112.03 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 t -56.87 -30.4 63.83 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 120.356 -1.465 . . . . 0.0 109.191 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -65.81 -40.44 91.87 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 120.196 1.362 . . . . 0.0 109.174 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.98 -22.38 64.11 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 121.875 2.125 . . . . 0.0 112.739 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.1 m -84.25 -18.17 37.37 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.54 1.973 . . . . 0.0 112.835 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.67 -40.72 92.71 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.315 -1.802 . . . . 0.0 107.437 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -52.65 -65.49 1.05 Allowed Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 122.895 2.589 . . . . 0.0 112.905 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.95 -30.29 83.29 Favored 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 125.161 2.879 . . . . 0.0 111.634 -174.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.8 m -63.38 -37.72 88.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.845 1.202 . . . . 0.0 110.608 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -39.94 56.79 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.657 2.026 . . . . 0.0 109.376 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -57.54 -46.4 83.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.237 0.926 . . . . 0.0 108.888 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.55 67.79 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.684 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.54 62.02 0.08 OUTLIER Glycine 0 C--N 1.356 1.678 0 CA-C-N 118.777 0.717 . . . . 0.0 111.575 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.75 150.26 28.58 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.822 -176.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -85.75 -26.91 25.56 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.547 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -128.25 152.0 48.61 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.138 1.79 . . . . 0.0 111.599 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.24 96.12 0.19 Allowed Glycine 0 C--N 1.359 1.83 0 CA-C-O 116.573 -2.237 . . . . 0.0 109.363 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -129.39 152.47 48.9 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 120.239 2.019 . . . . 0.0 109.596 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.0 t -115.61 149.08 38.85 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.044 1.747 . . . . 0.0 108.387 168.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 92.4 mmm -111.59 127.63 55.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 168.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -41.61 94.92 0.01 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.959 1.254 . . . . 0.0 111.083 -169.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 148.81 -69.84 0.33 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 159.81 35.53 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.216 -1.849 . . . . 0.0 109.708 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 33.2 m -99.26 142.66 30.46 Favored 'General case' 0 C--N 1.361 1.101 0 CA-C-N 119.9 1.227 . . . . 0.0 111.908 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -130.15 103.21 6.6 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -115.61 160.37 20.09 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.979 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -127.53 135.82 28.01 Favored Pre-proline 0 C--N 1.361 1.069 0 CA-C-O 116.122 -1.894 . . . . 0.0 108.667 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.53 167.92 25.03 Favored 'Trans proline' 0 C--N 1.365 1.4 0 CA-C-N 121.273 1.49 . . . . 0.0 112.09 -168.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.873 ' OXT' ' HD3' ' A' ' 38' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.6 mm -100.25 134.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 116.19 -1.862 . . . . 0.0 106.078 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.8 pt -136.76 140.94 42.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 120.943 1.701 . . . . 0.0 108.28 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -100.79 70.12 1.39 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -172.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -114.75 139.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.565 -1.207 . . . . 0.0 109.658 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.94 90.57 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.7 p -82.55 161.46 22.3 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.53 -40.03 2.5 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 124.896 1.372 . . . . 0.0 109.78 169.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -124.66 140.34 48.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 CA-C-O 124.213 1.958 . . . . 0.0 113.917 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -61.52 -31.87 71.88 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.4 -1.437 . . . . 0.0 108.557 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -65.03 -37.44 87.61 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 120.421 1.464 . . . . 0.0 111.082 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -71.88 -25.94 62.14 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 115.694 -2.098 . . . . 0.0 111.962 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.2 m -84.25 -17.92 38.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 121.52 1.964 . . . . 0.0 113.191 167.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.12 -40.95 86.93 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.035 -1.459 . . . . 0.0 108.053 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -62.4 4.3 Favored Pre-proline 0 C--N 1.356 0.85 0 CA-C-N 121.816 2.098 . . . . 0.0 112.59 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.36 -29.16 63.15 Favored 'Trans proline' 0 C--N 1.357 1.022 0 CA-C-N 124.712 2.719 . . . . 0.0 111.222 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.82 -37.25 83.74 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.174 1.352 . . . . 0.0 109.835 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -66.17 -45.09 82.11 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.479 1.945 . . . . 0.0 109.621 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -53.6 -45.2 69.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.167 0.894 . . . . 0.0 109.592 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.91 61.78 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.162 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.71 58.47 0.09 OUTLIER Glycine 0 C--N 1.355 1.634 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mmt -110.34 142.75 41.56 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.354 -173.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -75.61 -39.45 57.89 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.618 -1.658 . . . . 0.0 107.55 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -116.16 151.22 36.1 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 119.702 1.137 . . . . 0.0 111.61 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 97.33 0.24 Allowed Glycine 0 C--N 1.359 1.823 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -125.47 132.91 52.59 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 115.36 -2.257 . . . . 0.0 106.485 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 20.1 t -110.76 144.28 39.99 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 98.4 mmm -113.93 135.5 53.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -42.75 92.16 0.0 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.439 1.087 . . . . 0.0 111.656 -167.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.83 -67.23 0.41 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.992 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -125.13 156.66 37.99 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 116.471 -1.728 . . . . 0.0 110.215 -171.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 m -103.17 141.63 35.53 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.882 1.219 . . . . 0.0 111.441 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.45 102.94 5.5 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -172.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.9 m -111.02 168.83 9.19 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.219 -1.372 . . . . 0.0 108.908 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.7 p -138.15 141.05 30.72 Favored Pre-proline 0 C--N 1.36 1.025 0 CA-C-O 115.496 -2.193 . . . . 0.0 110.169 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.42 153.68 55.59 Favored 'Trans proline' 0 C--N 1.365 1.416 0 CA-C-N 121.815 1.684 . . . . 0.0 112.044 -170.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.927 ' OXT' ' HD2' ' A' ' 38' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 170.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mm -93.41 147.14 5.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -126.22 139.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -99.2 70.38 1.76 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.51 140.24 46.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.179 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -62.18 106.06 0.68 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.985 1.266 . . . . 0.0 108.443 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 15.2 p -91.67 161.39 14.93 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 121.547 1.976 . . . . 0.0 108.166 175.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -121.97 -40.76 2.49 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.406 1.066 . . . . 0.0 111.182 163.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.21 133.38 69.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 124.499 2.095 . . . . 0.0 112.224 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.4 p -58.25 -34.68 70.74 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.453 -1.404 . . . . 0.0 107.613 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.571 HH21 ' CD ' ' A' ' 16' ' ' GLU . 1.8 ttp-105 -64.9 -35.55 81.5 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.839 1.2 . . . . 0.0 110.981 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.14 -25.7 61.82 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.564 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.3 m -85.22 -20.8 29.59 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.524 1.966 . . . . 0.0 112.86 168.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.02 -38.69 92.21 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.463 -1.256 . . . . 0.0 107.68 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.571 ' CD ' HH21 ' A' ' 12' ' ' ARG . 99.0 mt-10 -58.88 -61.48 7.69 Favored Pre-proline 0 C--N 1.354 0.763 0 CA-C-N 121.109 1.777 . . . . 0.0 113.192 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.13 -28.86 80.22 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 125.633 3.047 . . . . 0.0 111.146 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.24 -38.56 90.72 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.14 1.336 . . . . 0.0 110.925 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.63 76.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 122.617 2.462 . . . . 0.0 109.08 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.45 -47.87 83.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.8 95.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.527 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.68 56.82 0.19 Allowed Glycine 0 C--N 1.354 1.578 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.9 mmm -111.99 147.02 36.81 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.333 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -81.85 -33.45 30.64 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.611 -1.662 . . . . 0.0 110.122 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -122.16 153.04 39.29 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.268 1.395 . . . . 0.0 110.635 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.35 89.72 0.16 Allowed Glycine 0 C--N 1.359 1.818 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -127.63 152.6 47.47 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 116.11 -1.9 . . . . 0.0 108.361 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.5 t -113.5 147.77 37.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 120.497 1.499 . . . . 0.0 109.019 170.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.46 129.61 55.54 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 167.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.17 95.84 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 O-C-N 124.559 1.162 . . . . 0.0 111.11 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.3 -71.06 0.4 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -127.21 161.8 27.67 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.45 -1.738 . . . . 0.0 109.961 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.3 m -101.85 144.8 30.06 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 119.584 1.084 . . . . 0.0 112.169 -175.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -127.93 106.0 8.8 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.66 157.14 23.51 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.929 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -128.56 136.61 29.38 Favored Pre-proline 0 C--N 1.361 1.08 0 CA-C-O 115.518 -2.182 . . . . 0.0 109.054 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.44 156.66 50.01 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 121.979 1.743 . . . . 0.0 112.961 -169.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 C--N 1.357 0.933 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 171.841 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.3 t . . . . . 0 C--O 1.221 -0.442 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.1 mt -75.77 145.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.409 -1.281 . . . . 0.0 107.669 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 pt -138.1 127.06 32.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 CA-C-N 119.198 0.908 . . . . 0.0 108.868 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -96.56 81.23 3.19 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.0 t -126.34 141.2 46.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.471 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 104.2 0.56 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -91.69 167.31 12.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 122.289 2.313 . . . . 0.0 105.421 174.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -121.8 -42.74 2.39 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.866 1.979 . . . . 0.0 110.286 154.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 pt -123.81 147.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 CA-C-O 123.981 1.848 . . . . 0.0 114.201 -173.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -64.17 -32.94 74.71 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 116.861 -1.542 . . . . 0.0 109.257 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.6 -39.79 94.36 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 121.482 1.946 . . . . 0.0 110.871 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.4 -28.74 66.42 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.405 -1.76 . . . . 0.0 111.769 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.36 -20.93 33.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.503 1.501 . . . . 0.0 113.478 170.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.97 -38.83 86.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 116.779 -1.582 . . . . 0.0 108.328 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.96 -62.78 3.32 Favored Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 122.429 2.377 . . . . 0.0 111.899 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.77 -27.87 51.86 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 124.989 2.818 . . . . 0.0 112.879 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.12 -44.24 95.04 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.51 1.505 . . . . 0.0 108.456 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -67.89 -44.06 77.87 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.8 -1.187 . . . . 0.0 108.979 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -45.8 -52.96 10.37 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.213 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.13 16.94 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.28 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.58 50.67 0.01 OUTLIER Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.361 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -106.0 141.01 38.11 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.543 -174.056 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.05 -23.49 26.72 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 115.409 -2.234 . . . . 0.0 107.234 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -137.69 165.9 25.27 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-N 121.512 1.96 . . . . 0.0 111.593 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.7 129.6 2.96 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-O 117.247 -1.863 . . . . 0.0 109.716 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 115.771 -2.061 . . . . 0.0 107.539 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.268 46.6 t -109.31 141.06 42.17 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 167.395 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -112.91 127.46 56.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.351 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.3 94.08 0.01 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 124.658 1.224 . . . . 0.0 110.998 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.63 -72.4 0.32 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.23 166.34 16.67 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.325 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.9 m -115.39 156.26 25.88 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.975 0.797 . . . . 0.0 111.114 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -129.93 123.49 30.85 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.9 m -101.97 132.7 47.64 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 m -113.97 106.01 53.82 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 116.8 -1.571 . . . . 0.0 108.694 -170.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 158.49 56.7 Favored 'Trans proline' 0 C--N 1.365 1.409 0 CA-C-N 120.789 1.318 . . . . 0.0 110.336 -167.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? . . . . . 0 C--N 1.356 0.85 0 C-N-CA 117.894 -1.522 . . . . 0.0 107.028 176.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.1 t . . . . . 0 CA--C 1.514 -0.412 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.6 mm -114.27 146.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.0 pt -133.71 133.48 56.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 169.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -97.18 71.95 2.43 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.055 1.298 . . . . 0.0 108.301 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.1 141.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.497 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.19 92.86 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.9 p -83.35 166.2 18.65 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 120.637 1.562 . . . . 0.0 109.099 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -125.22 -54.55 1.59 Allowed 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.296 0.997 . . . . 0.0 108.795 167.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 pt -114.31 135.64 53.43 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 CA-C-O 123.614 1.673 . . . . 0.0 112.615 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 p -56.91 -35.9 69.56 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -61.46 -40.88 96.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.201 1.364 . . . . 0.0 111.486 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -70.61 -23.12 62.49 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.003 -1.951 . . . . 0.0 112.413 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.6 m -84.41 -21.71 30.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.101 1.773 . . . . 0.0 112.704 167.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.47 -35.95 80.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.305 -1.807 . . . . 0.0 107.497 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.02 -63.8 2.37 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-N 123.325 2.784 . . . . 0.0 112.881 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.19 -31.37 54.03 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.793 2.748 . . . . 0.0 112.117 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.55 -39.87 95.0 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.644 1.565 . . . . 0.0 110.885 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -51.35 68.43 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 120.905 -1.122 . . . . 0.0 108.34 177.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -55.34 -47.06 76.25 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.898 -0.572 . . . . 0.0 110.709 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.48 82.95 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.291 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.74 57.4 0.22 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.5 mmt -104.73 143.76 32.66 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.321 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -72.27 -36.34 68.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.33 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.63 157.41 45.83 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.995 1.27 . . . . 0.0 113.056 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.65 105.21 0.37 Allowed Glycine 0 C--N 1.362 2.0 0 CA-C-O 117.406 -1.774 . . . . 0.0 109.921 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -137.68 158.1 45.08 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 116.282 -1.818 . . . . 0.0 109.52 -175.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -116.13 148.08 40.68 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 120.654 1.57 . . . . 0.0 108.232 172.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -110.97 125.16 53.41 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 167.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.95 96.45 0.01 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.167 1.348 . . . . 0.0 111.461 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.35 -70.25 0.42 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 159.08 26.99 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 116.714 -1.612 . . . . 0.0 110.147 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.8 m -102.08 148.8 24.95 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.433 1.015 . . . . 0.0 111.625 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -131.68 115.3 15.85 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.138 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.3 m -119.79 163.18 17.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.52 1.509 . . . . 0.0 109.725 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -131.72 136.56 28.63 Favored Pre-proline 0 C--N 1.36 1.026 0 CA-C-O 115.629 -2.129 . . . . 0.0 109.139 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.94 157.24 43.13 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.579 1.6 . . . . 0.0 112.474 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.356 0.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 169.66 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.0 140.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 pt -124.78 106.64 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -91.31 77.5 5.86 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -169.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.57 149.7 25.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 CA-C-O 118.74 -0.648 . . . . 0.0 112.468 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -61.68 108.27 0.96 Allowed 'General case' 0 C--N 1.358 0.941 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.233 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -88.72 174.66 7.88 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.333 0.97 . . . . 0.0 109.625 173.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -121.68 -53.38 1.99 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 162.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -122.49 146.27 27.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.32 0 CA-C-O 124.575 2.131 . . . . 0.0 115.255 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -59.13 -41.23 87.76 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.675 -1.266 . . . . 0.0 108.768 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -60.47 -35.51 76.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.529 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -75.73 -19.87 58.74 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.758 -2.068 . . . . 0.0 111.794 -176.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.4 m -85.69 -19.19 31.25 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 121.457 1.935 . . . . 0.0 112.749 165.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.24 -37.71 84.0 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.357 -1.782 . . . . 0.0 107.736 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -61.24 8.06 Favored Pre-proline 0 C--N 1.355 0.844 0 CA-C-N 123.034 2.652 . . . . 0.0 112.359 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.6 -32.83 57.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 CA-C-N 125.769 3.096 . . . . 0.0 111.732 -175.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -62.61 -37.43 86.24 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.527 1.512 . . . . 0.0 109.972 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.29 -47.99 83.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 121.069 1.759 . . . . 0.0 108.711 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -58.61 -46.06 87.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.107 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.59 87.04 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.894 0.77 . . . . 0.0 110.138 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.21 53.9 0.16 Allowed Glycine 0 C--N 1.354 1.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.8 mmt -113.11 140.48 47.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -73.92 -39.79 63.57 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.865 -1.54 . . . . 0.0 107.088 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -114.88 153.45 30.46 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.718 1.144 . . . . 0.0 112.629 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.94 87.6 0.13 Allowed Glycine 0 C--N 1.366 2.199 0 CA-C-O 115.446 -2.863 . . . . 0.0 113.339 -175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.49 164.91 23.78 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 121.619 2.709 . . . . 0.0 111.256 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.358 170.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.9 mmt -125.19 162.93 23.56 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 171.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t30 48.88 -108.18 0.26 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.619 -1.658 . . . . 0.0 107.726 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.43 24.17 2.94 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.116 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 153.94 43.84 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.369 2.085 . . . . 0.0 107.745 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -103.41 140.24 37.73 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.44 1.018 . . . . 0.0 111.832 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -127.62 115.07 18.21 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.69 158.29 24.04 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 117.527 -1.225 . . . . 0.0 110.974 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 p -134.09 137.45 28.27 Favored Pre-proline 0 C--N 1.363 1.174 0 CA-C-O 115.71 -2.091 . . . . 0.0 110.415 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.65 155.0 63.86 Favored 'Trans proline' 0 C--N 1.369 1.647 0 CA-C-N 121.286 1.495 . . . . 0.0 113.093 -167.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.357 0.916 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.808 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 C--O 1.221 -0.423 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 86.8 mt -78.95 144.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.6 pt -138.35 136.5 44.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -99.86 64.49 1.25 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.3 145.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.185 -0.912 . . . . 0.0 108.977 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -81.08 85.78 6.25 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.07 165.11 19.85 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 119.988 1.267 . . . . 0.0 108.879 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -121.24 -31.38 4.12 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.114 1.509 . . . . 0.0 112.304 157.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.22 140.45 49.05 Favored 'Isoleucine or valine' 0 C--N 1.371 1.521 0 CA-C-O 123.97 1.843 . . . . 0.0 113.726 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -34.42 76.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.53 -1.356 . . . . 0.0 108.278 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.3 -39.0 93.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.687 1.585 . . . . 0.0 111.516 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.74 -28.01 65.43 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.093 -1.908 . . . . 0.0 111.463 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.5 m -83.7 -18.62 37.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.783 1.629 . . . . 0.0 113.506 169.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 tp -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.088 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.53 -63.27 2.64 Favored Pre-proline 0 C--N 1.355 0.835 0 CA-C-N 122.055 2.207 . . . . 0.0 111.963 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.51 -30.3 52.32 Favored 'Trans proline' 0 C--N 1.359 1.093 0 CA-C-N 124.655 2.698 . . . . 0.0 112.262 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.59 -49.28 78.18 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.216 1.371 . . . . 0.0 108.828 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -63.39 -46.95 84.06 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 119.977 -1.702 . . . . 0.0 108.654 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -49.43 -46.0 47.11 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.118 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.42 -62.19 1.5 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.413 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.22 50.13 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.669 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 118.541 -0.743 . . . . 0.0 111.019 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -88.46 -27.15 21.69 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.957 -1.973 . . . . 0.0 108.591 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.75 163.16 32.04 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.311 1.869 . . . . 0.0 112.458 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 122.01 1.78 Allowed Glycine 0 C--N 1.357 1.713 0 CA-C-O 117.268 -1.851 . . . . 0.0 108.892 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -130.42 138.06 50.15 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 116.06 -1.924 . . . . 0.0 107.126 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.6 t -110.17 143.17 40.67 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 2.9 mmt -113.08 133.42 55.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 170.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -40.49 94.25 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.541 1.15 . . . . 0.0 111.276 -168.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 143.74 -70.33 0.4 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.1 161.24 27.22 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.644 -1.169 . . . . 0.0 111.267 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.9 m -109.73 155.91 20.96 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.965 -176.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -129.87 120.49 25.01 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 m -104.77 114.39 28.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 m -98.14 110.43 56.03 Favored Pre-proline 0 C--N 1.361 1.077 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.205 -169.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.66 156.17 64.34 Favored 'Trans proline' 0 C--N 1.366 1.486 0 CA-C-N 121.263 1.487 . . . . 0.0 112.831 -165.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--N 1.356 0.866 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 173.823 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 CA--C 1.513 -0.48 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.5 mp -100.67 143.85 13.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.0 pt -134.73 142.72 39.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.11 67.81 2.64 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -167.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.21 138.28 46.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.59 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -67.23 89.25 0.19 Allowed 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.25 11.7 p -83.0 154.01 24.69 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -116.64 -22.49 8.62 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.888 159.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -129.35 142.9 42.77 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 CA-C-O 124.104 1.907 . . . . 0.0 112.876 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -63.7 -33.81 76.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 120.198 -1.564 . . . . 0.0 108.415 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 111.192 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.35 -22.87 61.09 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.923 1.692 . . . . 0.0 111.554 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.2 m -77.53 -30.92 53.07 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.695 1.589 . . . . 0.0 112.198 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.09 -41.62 90.43 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 116.92 -1.514 . . . . 0.0 110.199 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.04 -62.43 2.84 Favored Pre-proline 0 C--N 1.357 0.911 0 CA-C-N 122.161 2.255 . . . . 0.0 111.736 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.15 -26.28 50.01 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 124.594 2.676 . . . . 0.0 111.852 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.57 -45.98 87.88 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.83 1.65 . . . . 0.0 108.14 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -61.6 -49.57 76.09 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.275 -1.516 . . . . 0.0 109.571 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -48.33 -48.9 35.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.897 -174.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.53 -56.18 18.07 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.609 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.11 57.84 0.02 OUTLIER Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.2 mmt -117.65 146.02 43.97 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.304 -172.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -78.96 -36.71 41.06 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.665 -2.112 . . . . 0.0 107.816 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.07 160.1 32.18 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.039 1.745 . . . . 0.0 113.194 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.97 110.04 0.88 Allowed Glycine 0 C--N 1.358 1.804 0 N-CA-C 106.826 -2.509 . . . . 0.0 106.826 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -124.83 133.32 53.15 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 115.405 -2.236 . . . . 0.0 105.002 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -115.61 149.68 37.89 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 121.551 1.978 . . . . 0.0 106.155 170.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.5 mmm -114.28 138.1 50.93 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 103.529 -2.767 . . . . 0.0 103.529 169.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -46.79 94.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.205 1.366 . . . . 0.0 109.855 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.65 -69.56 0.39 Allowed Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.28 -176.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 20.2 mtpp -118.34 152.98 34.77 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.098 -1.906 . . . . 0.0 110.195 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -90.98 147.27 23.21 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -126.72 108.66 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.5 m -101.83 140.37 36.22 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.138 -1.411 . . . . 0.0 107.259 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 m -116.24 108.69 45.4 Favored Pre-proline 0 C--N 1.357 0.933 0 CA-C-O 116.089 -1.91 . . . . 0.0 109.348 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.09 162.97 33.66 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.845 1.697 . . . . 0.0 112.976 -166.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.3 tptt . . . . . 0 C--N 1.357 0.928 0 C-N-CA 118.575 -1.25 . . . . 0.0 110.669 176.323 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.97 146.7 6.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.61 139.97 49.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -102.54 68.81 1.07 Allowed 'General case' 0 C--N 1.358 0.965 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.89 141.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.124 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.55 89.03 0.95 Allowed 'General case' 0 C--N 1.36 1.051 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.288 0.5 OUTLIER -80.32 167.93 19.65 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 178.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -125.07 -32.66 2.98 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 126.413 2.321 . . . . 0.0 112.485 156.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.29 151.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-O 124.201 1.953 . . . . 0.0 114.722 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -68.24 -32.85 73.33 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.012 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.62 -41.33 98.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 121.462 1.937 . . . . 0.0 110.018 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.52 -29.09 66.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.093 -1.908 . . . . 0.0 112.111 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.37 -20.1 34.86 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.96 1.709 . . . . 0.0 113.227 169.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.44 -38.5 90.04 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.166 -1.397 . . . . 0.0 108.265 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -62.32 3.61 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-N 121.657 2.026 . . . . 0.0 111.979 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.19 -27.69 41.21 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-N 124.739 2.728 . . . . 0.0 111.781 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.2 -53.24 59.35 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.784 1.629 . . . . 0.0 108.581 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -63.91 -38.4 90.94 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.203 -1.561 . . . . 0.0 109.924 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.13 -51.83 67.75 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.192 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.89 78.47 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.705 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.08 53.89 0.05 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 mmt -114.24 143.2 45.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -171.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -83.19 -28.87 29.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.539 -2.172 . . . . 0.0 107.24 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.16 161.42 29.31 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.519 1.509 . . . . 0.0 112.569 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 113.1 1.25 Allowed Glycine 0 C--N 1.36 1.892 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.36 124.31 33.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.867 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 38.2 t -110.72 140.61 44.95 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-N 121.496 1.953 . . . . 0.0 107.68 171.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.3 mtt -114.17 135.42 54.06 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 167.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.93 96.31 0.01 OUTLIER 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.204 0.94 . . . . 0.0 110.268 -171.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.2 -71.33 0.36 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.21 172.43 10.06 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 117.091 -1.433 . . . . 0.0 109.463 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -121.95 155.66 35.04 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 119.099 0.863 . . . . 0.0 111.506 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -130.28 116.39 18.29 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -104.16 126.8 51.56 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -101.29 122.26 48.88 Favored Pre-proline 0 C--N 1.357 0.935 0 CA-C-O 115.472 -2.204 . . . . 0.0 108.718 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.06 155.98 56.41 Favored 'Trans proline' 0 C--N 1.364 1.368 0 CA-C-N 121.989 1.746 . . . . 0.0 112.794 -168.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' OXT' ' A' ' 38' ' ' LYS . 6.6 ttpm? . . . . . 0 C--N 1.358 0.956 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 68.8 t . . . . . 0 C--O 1.22 -0.482 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.6 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.0 pt -133.91 143.47 38.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 173.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -101.26 72.8 1.46 Allowed 'General case' 0 C--N 1.357 0.92 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -172.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.02 138.6 53.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.315 -1.326 . . . . 0.0 109.146 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -66.46 100.39 0.65 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-O 116.776 -1.583 . . . . 0.0 107.548 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 8.5 p -84.61 161.24 20.21 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -116.46 -40.55 3.21 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.92 1.388 . . . . 0.0 108.893 160.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 pt -122.09 142.56 37.95 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 CA-C-O 124.421 2.058 . . . . 0.0 114.151 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -62.08 -32.86 73.45 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 117.15 -1.405 . . . . 0.0 108.863 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 24.3 tpt180 -63.04 -38.57 91.72 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.91 1.686 . . . . 0.0 111.057 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.31 -27.97 64.8 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 116.002 -1.952 . . . . 0.0 111.552 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -82.64 -20.19 36.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.975 1.716 . . . . 0.0 113.205 168.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.62 -39.85 84.68 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.129 -1.415 . . . . 0.0 108.761 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 2.8 mp0 -53.62 -61.09 5.63 Favored Pre-proline 0 C--N 1.357 0.895 0 CA-C-N 121.769 2.077 . . . . 0.0 111.839 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.33 -24.34 43.52 Favored 'Trans proline' 0 C--N 1.357 0.977 0 CA-C-N 125.088 2.853 . . . . 0.0 112.075 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.37 -42.05 90.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.056 1.753 . . . . 0.0 107.134 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.031 -1.668 . . . . 0.0 110.365 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -55.58 -37.62 68.31 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.831 1.196 . . . . 0.0 111.06 -171.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -56.02 9.26 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.066 0.848 . . . . 0.0 109.469 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.56 52.77 0.02 OUTLIER Glycine 0 C--N 1.354 1.555 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.42 133.52 54.45 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -82.55 -22.47 34.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.424 -2.226 . . . . 0.0 107.149 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -136.76 168.18 20.01 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 121.094 1.77 . . . . 0.0 111.411 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.92 128.02 2.76 Favored Glycine 0 C--N 1.358 1.762 0 CA-C-O 117.548 -1.696 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.65 125.19 29.8 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.601 -2.142 . . . . 0.0 106.354 -178.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.3 t -109.07 140.41 42.66 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 169.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.2 mtm -114.99 124.49 51.8 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -33.51 89.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.184 1.552 . . . . 0.0 112.399 -168.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.37 -72.32 0.29 Allowed Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -124.26 165.01 18.38 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.731 -1.604 . . . . 0.0 108.991 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m -113.89 153.83 28.55 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -126.4 111.23 14.23 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -98.99 127.35 44.89 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 m -110.21 110.46 58.4 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 116.237 -1.84 . . . . 0.0 109.736 -166.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 153.72 72.94 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.338 1.359 . . . . 0.0 110.369 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--N 1.356 0.889 0 C-N-CA 117.226 -1.789 . . . . 0.0 108.721 175.156 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.512 -0.497 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.5 mp -90.96 141.99 13.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.9 pt -127.82 130.94 70.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -95.34 75.57 3.37 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -174.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.62 141.93 37.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.124 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -73.15 93.68 1.86 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 p -83.78 164.11 19.76 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 119.479 1.036 . . . . 0.0 109.899 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -126.06 -48.22 1.61 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.565 167.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -117.56 130.12 72.95 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-O 123.225 1.488 . . . . 0.0 111.803 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -53.59 -34.72 59.42 Favored 'General case' 0 CA--C 1.504 -0.795 0 O-C-N 120.436 -1.415 . . . . 0.0 108.578 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -60.68 -42.17 96.57 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.949 1.249 . . . . 0.0 111.69 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.67 -21.63 63.51 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.108 -1.901 . . . . 0.0 111.727 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.26 -21.59 31.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.835 1.652 . . . . 0.0 113.391 167.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.2 -44.55 88.0 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.308 1.413 . . . . 0.0 107.342 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.43 -62.05 3.12 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.154 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.62 -28.61 60.89 Favored 'Trans proline' 0 C--N 1.357 1.019 0 CA-C-N 124.91 2.789 . . . . 0.0 112.061 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -58.23 -48.52 80.11 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.561 1.528 . . . . 0.0 108.127 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.52 -45.84 91.13 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.354 . . . . 0.0 109.698 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -48.17 -46.85 35.13 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.886 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -63.7 1.0 Allowed 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.338 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' C ' ' SD ' ' A' ' 23' ' ' MET . . . 169.41 45.44 0.03 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.804 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -113.76 149.98 34.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.293 -172.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -97.48 -19.61 18.29 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 115.649 -2.12 . . . . 0.0 110.32 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.91 172.95 12.26 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.945 2.157 . . . . 0.0 111.514 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.84 132.82 2.21 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.52 -1.711 . . . . 0.0 111.431 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -129.9 150.18 51.3 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 115.392 -2.242 . . . . 0.0 110.0 -175.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.9 t -116.16 134.52 54.84 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 121.914 2.143 . . . . 0.0 108.98 170.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.401 ' N ' ' SD ' ' A' ' 29' ' ' MET . 4.0 mpp? -130.12 159.81 35.67 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 117.596 -1.193 . . . . 0.0 108.357 175.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.7 t30 46.57 -100.77 0.06 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.907 -1.521 . . . . 0.0 109.18 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.73 17.93 3.02 Favored Glycine 0 C--N 1.357 1.706 0 CA-C-O 115.526 -2.819 . . . . 0.0 113.868 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -127.52 154.13 45.51 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 122.055 2.928 . . . . 0.0 109.025 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m -103.61 155.14 18.77 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.672 1.232 . . . . 0.0 109.585 -173.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -128.27 112.23 14.24 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.0 m -98.32 128.24 44.65 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 m -115.55 109.34 45.97 Favored Pre-proline 0 C--N 1.355 0.811 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.243 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 162.66 39.35 Favored 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 120.333 1.155 . . . . 0.0 110.731 -165.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 177.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.63 136.92 56.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.18 109.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -91.18 84.25 5.65 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -173.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.57 145.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.15 97.66 1.23 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.181 1.355 . . . . 0.0 107.44 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.73 169.54 14.16 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 119.881 1.219 . . . . 0.0 109.325 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -123.94 -49.86 1.84 Allowed 'General case' 0 C--N 1.357 0.922 0 O-C-N 124.384 1.053 . . . . 0.0 110.659 165.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -118.34 131.35 71.37 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 123.081 1.419 . . . . 0.0 112.181 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -57.55 -29.93 64.81 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.221 -1.549 . . . . 0.0 108.305 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -45.32 95.13 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.66 1.573 . . . . 0.0 110.334 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.79 -20.66 65.22 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.138 -1.887 . . . . 0.0 112.17 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.5 m -87.1 -14.11 42.29 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.814 1.643 . . . . 0.0 113.831 167.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.8 tm? -66.38 -54.36 25.29 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -42.96 -60.56 2.26 Favored Pre-proline 0 C--N 1.355 0.816 0 CA-C-N 120.941 1.701 . . . . 0.0 113.303 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.84 -33.53 33.44 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 125.375 2.955 . . . . 0.0 111.61 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.097 1.317 . . . . 0.0 110.625 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -35.9 57.76 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 121.716 2.053 . . . . 0.0 109.259 177.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -52.49 -45.56 66.22 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 120.526 1.512 . . . . 0.0 108.606 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.09 25.25 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.256 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.22 60.96 0.07 OUTLIER Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -101.87 152.77 20.51 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ttp-105 -86.43 -35.29 19.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 115.496 -2.193 . . . . 0.0 107.073 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -126.2 157.42 38.25 Favored 'General case' 0 C--N 1.37 1.458 0 CA-C-N 120.69 1.587 . . . . 0.0 111.373 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.85 112.08 0.76 Allowed Glycine 0 C--N 1.361 1.937 0 CA-C-O 116.43 -2.317 . . . . 0.0 111.043 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -133.36 148.07 51.83 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 120.867 2.334 . . . . 0.0 110.151 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -117.48 147.08 43.06 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 162.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' GLY . 83.0 mtp -114.91 128.0 56.03 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 167.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -36.96 91.88 0.0 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.972 1.42 . . . . 0.0 111.055 -168.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 150.62 -74.63 0.26 Allowed Glycine 0 C--N 1.353 1.512 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.032 1.416 . . . . 0.0 110.862 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.6 m -98.98 138.01 36.7 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.909 0.756 . . . . 0.0 111.155 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -135.64 118.49 16.21 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-O 117.637 -1.173 . . . . 0.0 108.599 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.6 m -119.98 162.54 19.04 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.265 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -115.56 134.2 22.67 Favored Pre-proline 0 C--N 1.361 1.074 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.928 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.74 162.81 40.21 Favored 'Trans proline' 0 C--N 1.362 1.267 0 CA-C-N 121.857 1.699 . . . . 0.0 110.776 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? . . . . . 0 CA--C 1.505 -0.763 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 170.235 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 3' ' ' ILE . 2.0 mp -92.52 149.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.33 135.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -99.72 70.65 1.66 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.949 0.795 . . . . 0.0 108.864 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -114.96 145.52 20.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.928 -1.035 . . . . 0.0 108.585 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.44 94.48 0.74 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 p -82.28 165.62 20.24 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 120.099 1.318 . . . . 0.0 109.248 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -123.71 -51.3 1.82 Allowed 'General case' 0 C--N 1.357 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 110.122 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.57 132.26 69.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 CA-C-O 123.366 1.555 . . . . 0.0 112.71 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -54.9 -33.94 62.57 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.981 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.2 -39.88 95.9 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.709 1.595 . . . . 0.0 111.523 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.47 -24.34 62.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.147 -1.883 . . . . 0.0 111.98 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.62 -17.31 36.54 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.832 1.651 . . . . 0.0 113.384 168.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.76 -41.31 75.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.933 -1.508 . . . . 0.0 108.05 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -54.77 -59.69 9.9 Favored Pre-proline 0 C--N 1.355 0.817 0 CA-C-N 121.999 2.181 . . . . 0.0 112.448 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.89 -33.35 52.81 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 125.09 2.854 . . . . 0.0 111.763 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.07 -35.82 74.01 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.943 1.247 . . . . 0.0 109.308 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -69.61 -44.11 71.38 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.429 1.468 . . . . 0.0 110.539 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -51.59 -44.93 62.98 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.699 1.59 . . . . 0.0 109.501 -172.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.23 36.62 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.472 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.81 61.23 0.06 OUTLIER Glycine 0 C--N 1.356 1.655 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -102.49 150.56 23.26 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 118.884 -0.579 . . . . 0.0 110.996 -176.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -75.07 -38.9 61.16 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 116.562 -1.685 . . . . 0.0 107.502 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -135.83 153.43 51.5 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.126 1.33 . . . . 0.0 113.195 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 106.97 0.67 Allowed Glycine 0 C--N 1.36 1.91 0 CA-C-O 116.884 -2.064 . . . . 0.0 108.247 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.69 131.32 43.0 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 114.68 -2.581 . . . . 0.0 107.714 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -110.09 142.29 41.75 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 122.522 2.419 . . . . 0.0 106.997 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 94.4 mtp -113.78 134.57 54.69 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 171.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -40.5 94.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.76 1.288 . . . . 0.0 111.036 -169.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.27 -70.51 0.34 Allowed Glycine 0 C--N 1.355 1.608 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -129.09 156.71 43.44 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.324 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 39.6 m -98.04 135.53 39.6 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.431 1.014 . . . . 0.0 110.018 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -126.48 108.28 11.03 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -114.07 163.12 15.6 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.402 -1.285 . . . . 0.0 109.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -127.73 135.77 27.97 Favored Pre-proline 0 C--N 1.361 1.087 0 CA-C-O 115.548 -2.168 . . . . 0.0 108.06 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.83 162.84 40.75 Favored 'Trans proline' 0 C--N 1.365 1.421 0 CA-C-N 121.032 1.404 . . . . 0.0 110.648 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 174.284 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mm -108.07 145.89 14.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.1 pt -139.27 119.89 14.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 173.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -92.88 78.87 4.69 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -172.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.69 138.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.702 -176.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 103.57 0.46 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 14.1 p -90.3 160.91 15.9 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 121.183 1.811 . . . . 0.0 107.197 175.759 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -122.56 -31.39 3.76 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.151 159.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -126.74 136.46 60.75 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.801 1.762 . . . . 0.0 113.159 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.1 p -60.32 -30.93 69.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.358 -1.464 . . . . 0.0 108.429 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.75 1.614 . . . . 0.0 111.432 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.88 -27.52 65.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 116.368 -1.777 . . . . 0.0 111.367 -175.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -83.72 -21.55 32.28 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.471 1.487 . . . . 0.0 113.344 170.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.48 -35.84 82.1 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.255 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 -64.19 2.13 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-N 122.262 2.301 . . . . 0.0 111.967 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.98 -27.35 58.14 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 124.819 2.757 . . . . 0.0 112.14 -176.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.8 m -59.62 -43.62 93.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.364 1.438 . . . . 0.0 107.92 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.98 -48.01 82.25 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.955 -1.716 . . . . 0.0 108.894 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -52.23 -47.53 65.63 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.593 -176.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.99 62.89 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.128 -179.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 53.76 0.03 OUTLIER Glycine 0 C--N 1.353 1.492 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.65 137.64 50.62 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.541 -0.743 . . . . 0.0 110.524 -168.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -26.89 51.11 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 116.306 -1.807 . . . . 0.0 108.175 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -140.17 165.49 27.24 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-N 120.685 1.584 . . . . 0.0 112.837 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.99 2.85 Favored Glycine 0 C--N 1.358 1.798 0 CA-C-O 117.258 -1.857 . . . . 0.0 108.513 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -131.74 129.53 40.74 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 115.488 -2.196 . . . . 0.0 107.482 -176.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.2 t -112.35 144.0 42.51 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 121.507 1.958 . . . . 0.0 107.104 169.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ASN . 14.8 mmt -113.87 119.01 35.83 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 170.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' MET . 7.2 t30 -29.01 90.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 125.289 1.618 . . . . 0.0 111.738 -173.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.27 -75.26 0.27 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.37 158.14 31.76 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 118.79 1.295 . . . . 0.0 109.826 -175.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.6 m -104.02 153.47 20.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 124.296 0.998 . . . . 0.0 111.253 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -130.22 121.74 26.77 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 -178.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.5 m -103.41 138.14 40.56 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.3 m -112.89 106.75 55.05 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.096 -169.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -70.55 150.18 63.03 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.519 1.479 . . . . 0.0 111.444 -169.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.357 0.932 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.506 176.928 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 CA--C 1.514 -0.434 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.11 144.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.2 pt -130.07 143.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -97.87 76.65 2.45 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -127.86 120.15 53.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.947 -174.035 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -44.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.647 170.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.1 p -84.61 165.08 18.26 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 120.367 1.439 . . . . 0.0 108.505 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -120.81 -48.99 2.24 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.66 1.225 . . . . 0.0 109.397 167.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -122.24 139.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.366 1.317 0 CA-C-O 123.716 1.722 . . . . 0.0 113.091 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -62.09 -28.58 69.72 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.64 -177.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -39.3 90.78 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.282 1.855 . . . . 0.0 110.974 176.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.23 -26.33 63.8 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 115.721 -2.085 . . . . 0.0 111.644 -175.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -84.11 -21.56 31.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.174 1.807 . . . . 0.0 113.257 168.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.902 1.228 . . . . 0.0 107.733 175.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.16 -62.97 4.2 Favored Pre-proline 0 C--N 1.354 0.8 0 CA-C-O 116.328 -1.796 . . . . 0.0 112.451 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.35 -27.52 47.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 CA-C-N 125.073 2.848 . . . . 0.0 112.413 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.1 m -56.98 -43.77 82.0 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.552 1.524 . . . . 0.0 107.721 176.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -63.91 -50.28 69.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.842 -1.161 . . . . 0.0 108.602 178.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -44.85 -50.26 10.41 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.209 -175.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -56.29 14.09 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.546 -177.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.25 54.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.485 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.984 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.68 148.0 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.219 -174.244 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -92.63 -17.45 24.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 115.895 -2.002 . . . . 0.0 109.631 175.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.44 162.42 34.5 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 121.571 1.987 . . . . 0.0 113.204 172.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.03 119.49 1.54 Allowed Glycine 0 C--N 1.36 1.864 0 CA-C-O 117.319 -1.823 . . . . 0.0 109.182 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -133.51 126.69 31.62 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.326 -2.273 . . . . 0.0 107.809 -175.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 26.0 t -110.76 140.57 45.05 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 121.758 2.072 . . . . 0.0 106.851 172.068 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 31' ' ' GLY . 26.2 mmt -111.79 131.58 55.24 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.329 -2.471 . . . . 0.0 104.329 171.49 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -37.32 92.36 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.145 1.528 . . . . 0.0 111.534 -170.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.97 -71.65 0.33 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -178.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -123.72 158.18 32.23 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 116.841 -1.552 . . . . 0.0 109.141 -171.517 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 13.6 m -105.0 149.34 25.85 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.425 1.011 . . . . 0.0 110.286 -177.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -122.85 116.98 24.57 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.49 130.5 46.58 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 177.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.4 m -109.79 104.58 55.76 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.446 -1.74 . . . . 0.0 108.083 -169.398 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.03 158.57 56.16 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 120.621 1.257 . . . . 0.0 111.176 -167.14 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.355 0.836 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.93 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 116.434 -1.746 . . . . 0.0 106.703 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.9 142.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.66 136.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 172.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -93.56 72.33 4.34 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -168.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -112.37 134.09 56.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.779 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -63.27 86.86 0.03 OUTLIER 'General case' 0 C--N 1.358 0.944 0 CA-C-N 119.658 1.117 . . . . 0.0 108.354 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -81.3 158.23 24.83 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -115.85 -42.04 3.14 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.523 1.139 . . . . 0.0 110.621 165.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -121.44 138.36 52.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 CA-C-O 123.52 1.629 . . . . 0.0 112.322 -176.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -32.96 67.35 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.511 -1.368 . . . . 0.0 109.374 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.14 90.0 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.437 1.017 . . . . 0.0 111.279 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.36 -22.04 61.21 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.9 m -79.06 -24.13 43.77 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.895 1.68 . . . . 0.0 112.362 166.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.12 -51.4 64.13 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 2.5 mp0 -45.6 -62.2 1.91 Allowed Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 121.656 2.025 . . . . 0.0 113.192 -175.015 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.19 -30.6 82.13 Favored 'Trans proline' 0 C--N 1.355 0.894 0 CA-C-N 125.121 2.865 . . . . 0.0 111.316 -178.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.7 -43.96 93.87 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.503 1.501 . . . . 0.0 110.449 177.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -37.47 68.65 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.671 1.578 . . . . 0.0 110.299 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.41 -46.42 83.53 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.201 0.909 . . . . 0.0 108.701 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.79 24.57 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.892 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.57 55.92 0.02 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-N 118.328 0.513 . . . . 0.0 112.041 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.39 152.08 24.66 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.975 -0.536 . . . . 0.0 112.077 -174.043 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.478 HH21 ' HE3' ' A' ' 38' ' ' LYS . 44.2 ttm180 -84.29 -32.73 24.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.319 -1.801 . . . . 0.0 108.712 173.543 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -139.42 168.73 19.17 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-N 121.047 1.749 . . . . 0.0 112.493 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.41 126.64 2.97 Favored Glycine 0 C--N 1.359 1.806 0 CA-C-O 117.714 -1.603 . . . . 0.0 109.819 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tppp? -129.51 131.78 46.71 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 115.111 -2.376 . . . . 0.0 105.275 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 7.6 t -114.85 147.4 39.93 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 122.611 2.459 . . . . 0.0 106.014 169.332 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' GLY . 50.0 mtm -117.84 137.09 53.0 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 170.137 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -44.36 92.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.771 1.295 . . . . 0.0 109.921 -168.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 152.76 -74.12 0.25 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 -173.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 57.2 mtmt -126.72 153.07 45.97 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.177 1.489 . . . . 0.0 111.668 -171.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.55 149.86 24.08 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -125.6 113.05 16.89 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 173.343 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -99.38 133.91 43.01 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -112.64 101.38 52.65 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 116.466 -1.73 . . . . 0.0 107.385 -170.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.61 159.2 54.56 Favored 'Trans proline' 0 C--N 1.364 1.361 0 CA-C-N 121.005 1.395 . . . . 0.0 111.55 -166.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HE3' HH21 ' A' ' 24' ' ' ARG . 87.8 tttt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 C--O 1.221 -0.431 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.13 143.04 13.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.5 pt -131.25 130.15 63.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 169.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -94.25 78.45 3.97 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -170.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.4 t -126.58 132.19 70.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.302 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 97.28 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.9 p -88.53 169.17 11.97 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 121.291 1.86 . . . . 0.0 108.432 179.069 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.63 -53.73 1.77 Allowed 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.732 1.27 . . . . 0.0 107.751 164.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -117.87 144.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-O 124.335 2.017 . . . . 0.0 114.813 -177.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -59.19 -35.23 73.22 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.586 -177.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -64.19 -39.58 94.28 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.331 1.423 . . . . 0.0 111.266 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.27 -26.76 65.82 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 121.199 1.818 . . . . 0.0 111.175 -174.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -85.14 -17.79 36.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.345 1.43 . . . . 0.0 113.679 168.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.3 -46.03 78.33 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.012 178.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.31 -60.81 4.58 Favored Pre-proline 0 C--N 1.356 0.853 0 CA-C-N 121.322 1.874 . . . . 0.0 111.94 -179.238 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.1 -26.62 57.67 Favored 'Trans proline' 0 C--N 1.357 1.003 0 CA-C-N 124.843 2.765 . . . . 0.0 112.105 -177.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -60.7 -40.93 94.05 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.965 1.712 . . . . 0.0 108.613 174.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.18 -44.73 78.93 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.967 -1.708 . . . . 0.0 108.69 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -47.59 -51.08 22.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.795 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.66 64.92 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.843 -176.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.22 58.32 0.05 OUTLIER Glycine 0 C--N 1.352 1.456 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 mmt -118.06 137.67 52.75 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.433 -172.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.81 -30.75 59.13 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 115.762 -2.065 . . . . 0.0 108.153 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -131.69 165.32 23.98 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.528 1.967 . . . . 0.0 112.996 -177.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.25 122.92 2.29 Favored Glycine 0 C--N 1.359 1.824 0 CA-C-O 117.389 -1.784 . . . . 0.0 109.55 -177.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -132.31 132.33 42.86 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.043 -178.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.0 t -111.59 141.31 45.34 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 166.02 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -112.43 126.3 55.15 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 170.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -34.63 90.74 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 O-C-N 125.176 1.548 . . . . 0.0 111.907 -170.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.48 -72.38 0.31 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -178.031 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.88 161.52 22.64 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.219 -175.342 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.8 m -107.77 152.84 23.82 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.332 1.02 . . . . 0.0 110.644 -177.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -131.94 117.96 19.14 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.1 138.96 38.36 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -112.02 103.32 55.18 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 116.701 -1.619 . . . . 0.0 109.307 -168.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.16 162.06 31.84 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.467 1.445 . . . . 0.0 114.191 -164.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 C--N 1.356 0.88 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.867 169.121 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 CA--C 1.511 -0.524 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.3 143.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-O 116.608 -1.663 . . . . 0.0 106.736 -176.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -137.3 138.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 120.306 1.412 . . . . 0.0 107.531 172.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.47 62.24 0.93 Allowed 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.038 0.835 . . . . 0.0 109.05 -171.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.45 140.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 117.803 -1.094 . . . . 0.0 109.839 -176.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -72.13 95.78 1.69 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.48 165.09 17.43 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 118.971 0.805 . . . . 0.0 109.968 -176.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -119.5 -49.4 2.36 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.485 1.116 . . . . 0.0 108.894 164.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 pt -122.03 138.61 51.7 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 CA-C-O 123.786 1.755 . . . . 0.0 113.574 -179.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -55.54 -36.11 66.42 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.757 -1.214 . . . . 0.0 108.273 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -61.06 -40.37 93.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.98 1.264 . . . . 0.0 111.939 178.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -70.06 -25.7 63.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 121.023 1.738 . . . . 0.0 111.266 -175.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.95 -22.37 33.79 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.432 1.469 . . . . 0.0 113.049 169.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.38 -39.05 88.84 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.537 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.03 -63.29 2.47 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-N 122.163 2.256 . . . . 0.0 112.078 178.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.53 -26.27 40.38 Favored 'Trans proline' 0 C--N 1.356 0.961 0 CA-C-N 124.82 2.757 . . . . 0.0 112.767 -176.004 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -58.15 -42.16 85.32 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.111 1.778 . . . . 0.0 106.907 173.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -63.17 -55.62 23.6 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.089 -1.632 . . . . 0.0 107.706 -178.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -51.84 -38.12 54.64 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.09 0.859 . . . . 0.0 111.676 -171.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.13 -57.95 7.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.97 52.2 0.01 OUTLIER Glycine 0 C--N 1.352 1.453 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.142 176.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mmt -117.38 137.0 52.76 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.705 -171.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -74.99 -32.21 61.6 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 115.885 -2.007 . . . . 0.0 107.749 176.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -135.31 170.0 16.61 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-N 121.371 1.896 . . . . 0.0 112.911 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.36 130.43 2.33 Favored Glycine 0 C--N 1.358 1.799 0 CA-C-O 117.368 -1.796 . . . . 0.0 112.392 175.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.29 146.18 44.37 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 115.808 -2.044 . . . . 0.0 108.923 -171.015 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.93 134.83 54.57 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 121.797 2.09 . . . . 0.0 109.477 170.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 57.8 mtt -126.77 159.52 33.55 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.213 -1.375 . . . . 0.0 108.209 173.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.2 t30 47.65 -102.82 0.09 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 116.872 -1.537 . . . . 0.0 108.208 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.84 23.89 2.45 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-O 116.333 -2.37 . . . . 0.0 112.895 171.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -125.23 151.6 45.68 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.764 2.282 . . . . 0.0 107.82 -177.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 m -105.96 157.04 17.78 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.21 0.944 . . . . 0.0 111.046 -173.002 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.76 117.53 19.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -175.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.1 m -102.49 130.02 49.18 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 178.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.5 m -112.0 105.37 56.43 Favored Pre-proline 0 C--N 1.359 0.992 0 CA-C-O 116.241 -1.838 . . . . 0.0 109.241 -169.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.97 157.61 34.51 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 122.016 1.811 . . . . 0.0 112.715 -166.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tttt . . . . . 0 C--N 1.357 0.902 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.813 173.199 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t . . . . . 0 CA--C 1.513 -0.446 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.1 mp -103.83 149.62 7.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 178.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.9 pt -131.08 144.54 37.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -102.66 71.25 1.17 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -172.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -118.93 140.99 40.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.454 -177.089 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.69 94.18 0.09 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 p -83.4 164.1 20.16 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 119.733 1.151 . . . . 0.0 108.012 177.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -125.06 -47.62 1.77 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.301 1.001 . . . . 0.0 110.874 168.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -118.41 131.39 71.32 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 123.262 1.506 . . . . 0.0 111.961 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -55.55 -32.31 62.88 Favored 'General case' 0 CA--C 1.505 -0.759 0 O-C-N 120.57 -1.331 . . . . 0.0 108.888 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.49 -39.37 93.26 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.492 1.496 . . . . 0.0 111.509 176.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.32 -23.63 61.19 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.72 -2.086 . . . . 0.0 112.442 -176.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -83.99 -19.4 34.61 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 121.44 1.927 . . . . 0.0 112.799 166.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.42 -37.92 83.79 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.631 -1.652 . . . . 0.0 107.814 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -62.54 4.64 Favored Pre-proline 0 C--N 1.356 0.875 0 CA-C-N 122.732 2.514 . . . . 0.0 112.853 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.86 -29.51 50.04 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 124.921 2.793 . . . . 0.0 111.438 -176.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.35 -32.45 72.35 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.295 1.407 . . . . 0.0 109.957 175.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.71 -45.45 71.52 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.472 1.487 . . . . 0.0 108.884 176.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.673 0.669 . . . . 0.0 109.485 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.86 77.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.22 60.96 0.45 Allowed Glycine 0 C--N 1.354 1.55 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mmt -108.31 144.07 36.33 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.593 -174.471 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -80.33 -29.06 38.02 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.071 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -128.36 154.2 46.24 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 120.342 1.428 . . . . 0.0 111.473 176.121 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.63 92.72 0.17 Allowed Glycine 0 C--N 1.36 1.908 0 CA-C-O 117.335 -1.814 . . . . 0.0 108.832 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -128.93 152.36 48.65 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.44 -1.743 . . . . 0.0 108.991 -177.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -116.16 149.74 38.57 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 120.038 1.29 . . . . 0.0 107.949 171.465 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' GLY . 24.2 mmt -111.7 135.32 52.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 167.531 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -42.93 92.31 0.01 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.737 1.153 . . . . 0.0 111.404 -170.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.52 -67.8 0.4 Allowed Glycine 0 C--N 1.355 1.606 0 CA-C-O 118.24 -1.311 . . . . 0.0 109.909 -178.105 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -127.68 156.2 42.73 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 116.106 -1.902 . . . . 0.0 109.892 -171.202 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.8 m -99.97 142.56 31.28 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 120.25 1.386 . . . . 0.0 111.888 -176.589 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -128.6 106.51 9.01 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -174.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.7 m -115.34 158.91 21.73 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.533 176.382 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -128.34 136.62 29.36 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-O 115.37 -2.252 . . . . 0.0 109.173 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.07 164.81 33.46 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.694 1.641 . . . . 0.0 112.643 -170.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.357 0.905 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.376 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.2 t . . . . . 0 CA--C 1.511 -0.556 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.6 mp -96.99 144.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 179.581 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.18 141.49 45.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 174.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -101.47 67.04 1.12 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.964 0.802 . . . . 0.0 109.103 -172.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -111.39 143.27 21.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.485 -1.245 . . . . 0.0 109.233 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -72.49 84.07 1.11 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.9 p -86.92 159.16 19.13 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.404 -179.08 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -122.14 -47.26 2.15 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.711 -1.138 . . . . 0.0 111.128 175.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.58 145.17 26.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.326 0 CA-C-O 123.747 1.737 . . . . 0.0 113.703 -176.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -59.25 -40.99 87.74 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.868 -175.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 3.2 tmt_? -65.94 -34.69 78.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.242 -178.402 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.22 -26.79 64.03 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.535 1.97 . . . . 0.0 110.94 -178.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -84.36 -16.61 42.23 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.883 1.674 . . . . 0.0 113.32 168.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.84 -36.74 84.31 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.692 -1.623 . . . . 0.0 107.103 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -56.69 -59.04 13.52 Favored Pre-proline 0 C--N 1.355 0.809 0 CA-C-N 122.237 2.289 . . . . 0.0 113.931 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.76 -29.9 41.9 Favored 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 125.704 3.073 . . . . 0.0 112.298 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.24 -52.66 57.64 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.657 1.571 . . . . 0.0 109.14 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -35.82 80.07 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.283 -1.511 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.17 -48.6 81.05 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.774 0.715 . . . . 0.0 109.922 -175.509 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.98 9.86 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.106 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.04 51.29 0.01 OUTLIER Glycine 0 C--N 1.353 1.499 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.573 176.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.55 157.92 18.04 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.61 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -97.37 -22.41 16.64 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 116.243 -1.836 . . . . 0.0 110.275 175.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.26 168.1 25.03 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 121.834 2.106 . . . . 0.0 112.312 171.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.99 150.98 20.88 Favored Glycine 0 C--N 1.359 1.849 0 CA-C-O 117.68 -1.622 . . . . 0.0 113.314 170.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -136.57 159.26 42.35 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 118.879 1.34 . . . . 0.0 110.851 -172.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -117.87 109.87 17.06 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.103 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -120.79 149.07 43.13 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.528 -1.701 . . . . 0.0 108.054 -175.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 t30 48.61 -111.47 0.44 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.344 -1.789 . . . . 0.0 107.495 -176.313 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.8 17.93 4.89 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 116.933 -2.037 . . . . 0.0 112.467 172.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -118.9 167.23 11.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 120.671 2.236 . . . . 0.0 106.459 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.5 m -117.4 159.13 23.27 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.597 1.09 . . . . 0.0 110.399 179.081 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -127.16 116.34 20.49 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -177.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.0 m -103.17 122.17 44.17 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 176.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 p -107.34 116.0 58.73 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 115.888 -2.006 . . . . 0.0 105.879 -173.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.82 167.24 27.76 Favored 'Trans proline' 0 C--N 1.363 1.312 0 CA-C-N 121.328 1.51 . . . . 0.0 111.772 -166.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HG2' ' OXT' ' A' ' 38' ' ' LYS . 87.1 tttt . . . . . 0 C--N 1.354 0.78 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.327 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 CA--C 1.513 -0.443 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.1 mt -86.22 146.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 pt -128.65 139.74 51.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 120.092 1.315 . . . . 0.0 107.895 174.373 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -104.46 69.26 0.9 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 119.109 0.868 . . . . 0.0 109.002 -173.041 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -112.54 145.47 18.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.575 -177.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -69.39 88.04 0.46 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 176.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -86.92 152.42 22.45 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.343 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -45.18 2.96 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.587 1.179 . . . . 0.0 109.455 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -125.96 145.18 33.84 Favored 'Isoleucine or valine' 0 C--N 1.37 1.499 0 CA-C-O 124.172 1.939 . . . . 0.0 114.252 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.6 p -60.66 -34.66 74.63 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 120.536 -1.352 . . . . 0.0 109.143 -178.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.36 98.41 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.163 1.347 . . . . 0.0 110.084 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.5 -27.83 67.33 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.418 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.22 -18.05 43.93 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.306 1.412 . . . . 0.0 113.691 168.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -67.61 -43.45 80.42 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.168 -1.873 . . . . 0.0 107.974 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.295 26.6 mp0 -52.61 -61.61 4.41 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 122.883 2.583 . . . . 0.0 112.37 178.559 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.69 -28.14 44.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 CA-C-N 124.48 2.636 . . . . 0.0 112.705 -174.404 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -62.61 -44.94 95.04 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.583 1.538 . . . . 0.0 107.228 176.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.06 -46.5 90.44 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.815 -1.803 . . . . 0.0 108.83 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -49.03 -49.76 39.56 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.24 -177.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.36 42.69 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.519 -178.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.76 52.6 0.02 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 177.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.1 mmt -114.34 143.14 45.37 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.583 -168.198 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -22.16 24.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -176.114 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -148.88 170.03 19.2 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 121.838 2.108 . . . . 0.0 112.967 172.306 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.89 149.59 19.27 Favored Glycine 0 C--N 1.361 1.972 0 CA-C-O 117.686 -1.619 . . . . 0.0 113.331 169.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -136.42 159.03 43.01 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 117.21 -1.376 . . . . 0.0 110.659 -171.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.4 t -116.89 109.77 17.48 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.239 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -117.68 145.04 44.68 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 107.795 -175.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 49.19 -111.19 0.45 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.292 -1.814 . . . . 0.0 107.515 -176.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.41 18.95 4.88 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.945 -2.031 . . . . 0.0 112.567 173.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -122.03 166.05 15.09 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.717 2.258 . . . . 0.0 106.757 178.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.49 160.55 20.44 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.12 0.873 . . . . 0.0 110.503 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -129.62 121.59 27.36 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -177.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -105.83 127.92 53.41 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.593 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -115.26 117.32 41.23 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.54 -2.172 . . . . 0.0 108.998 -170.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.34 155.4 51.15 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.71 1.607 . . . . 0.0 112.948 -168.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? . . . . . 0 C--N 1.358 0.958 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 171.569 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.53 140.69 17.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 pt -142.24 117.58 5.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -88.7 89.84 8.16 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.5 142.05 43.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -65.89 91.18 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -177.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -82.42 163.34 21.72 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.667 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.15 -44.31 2.5 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.75 1.282 . . . . 0.0 110.143 165.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.62 142.55 39.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.423 1.583 . . . . 0.0 112.995 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -62.11 -28.98 70.01 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.952 -1.718 . . . . 0.0 110.016 -178.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -40.19 96.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 120.242 1.383 . . . . 0.0 109.187 176.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -74.18 -22.5 59.38 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 121.015 1.734 . . . . 0.0 111.973 -176.668 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -76.23 -27.81 56.93 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.755 1.616 . . . . 0.0 111.498 167.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 tp -66.36 -39.17 88.99 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-O 115.456 -2.211 . . . . 0.0 109.087 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 10.8 mp0 -46.07 -68.15 0.32 Allowed Pre-proline 0 C--N 1.359 0.986 0 CA-C-N 124.108 3.14 . . . . 0.0 112.047 176.18 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.48 -28.87 45.46 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 124.507 2.645 . . . . 0.0 112.522 -174.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.3 m -58.71 -50.22 74.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.692 1.587 . . . . 0.0 108.434 178.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.77 -46.28 90.24 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.181 -0.95 . . . . 0.0 109.091 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -53.68 -46.4 70.65 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.688 -172.441 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.27 6.5 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.66 52.42 0.01 OUTLIER Glycine 0 C--N 1.354 1.536 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.447 178.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.26 149.69 28.28 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.151 -173.934 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -86.86 -29.69 22.01 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 115.035 -2.412 . . . . 0.0 107.572 173.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.44 157.1 43.54 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 121.918 2.145 . . . . 0.0 112.951 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.05 118.16 1.78 Allowed Glycine 0 C--N 1.361 1.942 0 CA-C-O 117.271 -1.849 . . . . 0.0 109.169 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -136.17 145.63 45.98 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 115.374 -2.25 . . . . 0.0 109.324 -173.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -124.41 154.59 40.19 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.514 2.416 . . . . 0.0 109.099 169.744 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.02 134.14 55.05 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 164.029 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -46.46 93.82 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 CA-C-N 120.037 1.289 . . . . 0.0 109.583 -171.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.36 -73.07 0.28 Allowed Glycine 0 C--N 1.353 1.51 0 N-CA-C 108.764 -1.735 . . . . 0.0 108.764 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -122.07 148.34 44.98 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.05 1.425 . . . . 0.0 112.137 -173.84 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.1 m -83.18 151.39 25.71 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.31 115.51 17.04 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 174.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.3 m -102.6 140.91 36.26 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 175.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.1 m -123.96 113.63 28.29 Favored Pre-proline 0 C--N 1.359 0.997 0 CA-C-O 116.634 -1.651 . . . . 0.0 108.066 -174.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.08 162.75 41.59 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 120.732 1.297 . . . . 0.0 111.763 -163.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.356 0.864 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.494 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t . . . . . 0 CA--C 1.513 -0.477 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.8 mm -75.49 146.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 177.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.33 137.92 45.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 171.126 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -100.1 69.7 1.52 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -170.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -123.78 138.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.334 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 99.59 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.498 -1.239 . . . . 0.0 108.34 178.401 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -86.52 162.46 18.04 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 121.218 1.826 . . . . 0.0 107.863 177.169 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -55.11 1.53 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 164.833 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -107.72 123.05 62.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 CA-C-O 123.117 1.436 . . . . 0.0 111.339 -178.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -51.0 -30.69 15.83 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.287 -1.508 . . . . 0.0 109.627 177.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.79 98.35 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.522 1.51 . . . . 0.0 111.307 177.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.33 -24.72 64.86 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 116.196 -1.859 . . . . 0.0 112.051 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.07 -18.86 41.64 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.741 1.609 . . . . 0.0 112.8 168.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -47.63 76.55 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.856 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.252 1.0 OUTLIER -44.73 -64.23 0.91 Allowed Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 121.728 2.058 . . . . 0.0 113.218 -176.669 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 -30.68 56.53 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 124.728 2.724 . . . . 0.0 112.089 -177.092 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.21 -44.54 79.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.629 1.559 . . . . 0.0 108.657 176.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -67.61 -45.97 73.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -178.501 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -51.19 -50.53 58.85 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.725 0.693 . . . . 0.0 110.049 -176.467 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -54.59 44.26 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.801 -177.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.58 53.49 0.02 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 121.229 -0.51 . . . . 0.0 111.948 177.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.35 145.45 32.84 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.462 -174.041 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -88.86 -25.48 22.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.393 -2.241 . . . . 0.0 107.255 175.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -137.86 170.99 15.1 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-N 121.329 1.877 . . . . 0.0 111.263 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.77 135.59 4.08 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.273 -1.293 . . . . 0.0 111.556 174.126 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -133.06 143.5 49.4 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 115.367 -2.254 . . . . 0.0 106.724 -174.437 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.255 37.1 t -109.03 140.67 42.25 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 121.894 2.134 . . . . 0.0 105.775 168.928 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASN . 69.4 mtp -113.41 104.35 12.2 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 174.87 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' MET . 41.9 t30 -17.65 89.2 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.025 1.453 . . . . 0.0 114.044 -171.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.49 -70.21 0.42 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.476 -1.85 . . . . 0.0 108.476 178.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -110.38 157.61 19.35 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 116.615 -1.659 . . . . 0.0 108.073 -177.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.7 m -106.21 155.27 19.64 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.594 1.088 . . . . 0.0 110.162 177.374 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -126.52 114.57 18.3 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.3 133.34 44.85 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 177.04 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -116.31 104.69 51.65 Favored Pre-proline 0 C--N 1.357 0.931 0 CA-C-O 116.726 -1.607 . . . . 0.0 108.55 -168.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.33 158.1 58.99 Favored 'Trans proline' 0 C--N 1.365 1.411 0 CA-C-N 120.569 1.239 . . . . 0.0 110.689 -166.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--N 1.355 0.835 0 C-N-CA 118.13 -1.428 . . . . 0.0 108.815 177.047 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.912 0 N-CA-C 108.348 -1.901 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.5 t -138.16 102.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 119.467 1.634 . . . . 0.0 106.768 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.4 mm -93.68 149.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.7 pt -135.83 140.04 44.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -101.26 73.02 1.47 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -170.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.47 141.72 39.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.473 -1.251 . . . . 0.0 109.737 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -65.11 96.24 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.2 p -83.93 165.05 19.0 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -124.91 -47.75 1.79 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.403 1.064 . . . . 0.0 110.415 167.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 pt -118.24 134.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 CA-C-O 123.351 1.548 . . . . 0.0 112.33 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -58.63 -29.35 66.45 Favored 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 120.664 -1.273 . . . . 0.0 108.797 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -36.24 82.25 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 120.7 1.591 . . . . 0.0 111.849 176.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -72.21 -25.19 61.56 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 115.895 -2.003 . . . . 0.0 111.749 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.3 m -84.18 -17.81 38.73 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 121.252 1.842 . . . . 0.0 113.085 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.75 -42.14 86.68 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 116.884 -1.531 . . . . 0.0 107.571 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -61.15 6.82 Favored Pre-proline 0 C--N 1.355 0.819 0 CA-C-N 121.747 2.067 . . . . 0.0 112.903 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.92 -28.89 58.18 Favored 'Trans proline' 0 C--N 1.357 1.005 0 CA-C-N 124.971 2.811 . . . . 0.0 111.505 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.2 m -62.15 -34.44 76.4 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.185 1.357 . . . . 0.0 109.922 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -69.56 -47.85 62.26 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 120.699 1.591 . . . . 0.0 108.111 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -46.74 -48.81 20.33 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 118.433 0.56 . . . . 0.0 110.221 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.65 83.41 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.115 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.16 62.03 0.25 Allowed Glycine 0 C--N 1.354 1.541 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.5 mmt -108.6 143.22 37.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 117.802 -1.094 . . . . 0.0 108.572 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.34 -40.22 62.31 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.383 -1.77 . . . . 0.0 107.048 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -115.54 152.27 33.32 Favored 'General case' 0 C--N 1.365 1.245 0 CA-C-N 120.205 1.366 . . . . 0.0 111.821 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 99.18 0.28 Allowed Glycine 0 C--N 1.36 1.889 0 N-CA-C 107.753 -2.139 . . . . 0.0 107.753 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.99 136.42 50.3 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 114.947 -2.454 . . . . 0.0 108.434 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 16.4 t -113.38 140.93 47.64 Favored 'General case' 0 C--N 1.363 1.167 0 CA-C-N 121.906 2.139 . . . . 0.0 107.088 171.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLY . 31.8 mmt -108.48 130.61 55.26 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 103.171 -2.899 . . . . 0.0 103.171 171.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -41.12 91.46 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 124.633 1.208 . . . . 0.0 111.574 -168.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 149.73 -68.92 0.33 Allowed Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.119 -1.378 . . . . 0.0 109.783 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -125.84 157.22 38.13 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 116.518 -1.706 . . . . 0.0 110.17 -172.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.2 m -101.74 139.06 37.9 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 119.616 1.098 . . . . 0.0 110.743 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -127.6 105.5 8.52 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.8 m -114.27 156.62 24.02 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.068 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.2 p -121.84 135.15 25.01 Favored Pre-proline 0 C--N 1.36 1.059 0 CA-C-O 115.432 -2.223 . . . . 0.0 109.303 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.2 153.44 62.16 Favored 'Trans proline' 0 C--N 1.363 1.317 0 CA-C-N 121.509 1.575 . . . . 0.0 110.579 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--N 1.356 0.861 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.048 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.909 0 CA-C-O 117.204 -1.887 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.2 t -144.64 134.06 18.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 119.759 1.78 . . . . 0.0 107.866 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -116.15 148.33 18.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 pt -128.55 137.32 57.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -98.14 71.22 2.11 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.824 1.193 . . . . 0.0 108.429 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.1 t -113.7 138.87 41.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.508 -1.234 . . . . 0.0 108.555 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.86 103.34 0.7 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -88.17 168.83 12.42 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 120.161 1.346 . . . . 0.0 107.946 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -120.47 -51.44 2.18 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.302 1.001 . . . . 0.0 109.186 165.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.26 143.97 31.84 Favored 'Isoleucine or valine' 0 C--N 1.368 1.406 0 CA-C-O 124.032 1.872 . . . . 0.0 113.892 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -61.31 -33.8 74.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.468 -1.253 . . . . 0.0 108.563 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -37.91 89.18 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 120.516 1.507 . . . . 0.0 111.169 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -72.01 -26.46 62.23 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 115.574 -2.155 . . . . 0.0 111.998 -175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.1 m -83.39 -21.58 33.0 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 121.538 1.972 . . . . 0.0 113.275 168.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.1 tp -64.3 -34.94 79.29 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.026 -1.464 . . . . 0.0 107.506 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -57.58 -63.45 3.77 Favored Pre-proline 0 C--N 1.354 0.773 0 CA-C-N 121.785 2.084 . . . . 0.0 112.852 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.6 -30.51 51.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 CA-C-N 124.966 2.809 . . . . 0.0 111.931 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.6 m -59.49 -39.36 83.52 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.812 1.642 . . . . 0.0 110.058 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -42.73 89.83 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.705 -1.247 . . . . 0.0 109.549 177.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.78 -48.59 81.09 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 118.927 0.785 . . . . 0.0 109.497 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.23 81.56 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.408 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 118.24 59.82 0.28 Allowed Glycine 0 C--N 1.354 1.547 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.9 mmt -105.17 144.12 32.4 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.157 -0.925 . . . . 0.0 108.729 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.43 -26.83 41.76 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.545 -1.693 . . . . 0.0 108.442 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.35 158.24 44.87 Favored 'General case' 0 C--N 1.363 1.195 0 CA-C-N 120.41 1.459 . . . . 0.0 112.781 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.92 101.7 0.23 Allowed Glycine 0 C--N 1.363 2.064 0 CA-C-O 116.715 -2.158 . . . . 0.0 111.572 -173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 162.7 30.21 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.399 2.099 . . . . 0.0 110.437 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.3 t -120.9 143.99 48.66 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-O 117.542 -1.218 . . . . 0.0 108.795 165.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 30.9 mmt -109.24 125.45 52.27 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 103.356 -2.831 . . . . 0.0 103.356 168.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -39.08 93.72 0.01 OUTLIER 'General case' 0 C--N 1.357 0.927 0 CA-C-N 120.068 1.304 . . . . 0.0 111.243 -169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -73.94 0.29 Allowed Glycine 0 C--N 1.355 1.597 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -175.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -125.86 162.05 26.04 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.012 -1.47 . . . . 0.0 110.372 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 56.2 m -103.52 145.99 29.19 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.035 0.834 . . . . 0.0 112.329 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -130.3 102.81 6.36 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.9 m -115.83 162.65 17.0 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.181 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -132.77 138.96 33.14 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.542 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -72.85 166.08 30.98 Favored 'Trans proline' 0 C--N 1.364 1.343 0 CA-C-N 121.777 1.67 . . . . 0.0 112.522 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? . . . . . 0 C--N 1.357 0.902 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.521 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.97 0 CA-C-O 118.103 -1.387 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.3 t -135.78 91.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.802 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mm -87.52 150.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.15 133.64 47.3 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -99.45 75.5 1.97 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 76.0 t -122.82 141.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.645 -1.169 . . . . 0.0 108.436 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -67.79 94.66 0.47 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.089 -1.448 . . . . 0.0 107.089 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 p -82.09 164.4 21.38 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -121.74 -39.79 2.6 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.278 164.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -124.87 137.85 56.15 Favored 'Isoleucine or valine' 0 C--N 1.369 1.428 0 CA-C-O 123.729 1.728 . . . . 0.0 113.937 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.0 p -58.22 -34.98 71.01 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.489 -1.382 . . . . 0.0 108.745 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -62.96 -38.61 91.78 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 120.478 1.49 . . . . 0.0 111.495 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.79 -25.76 63.03 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.067 -1.92 . . . . 0.0 111.478 -176.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.6 m -84.5 -17.52 38.77 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.947 1.703 . . . . 0.0 113.714 168.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.31 -42.0 80.06 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.432 -1.271 . . . . 0.0 107.987 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.63 -62.04 4.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 116.256 -1.83 . . . . 0.0 111.959 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.37 -29.94 53.85 Favored 'Trans proline' 0 C--N 1.357 1.02 0 CA-C-N 124.803 2.751 . . . . 0.0 111.547 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.18 -48.78 78.56 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 120.163 1.347 . . . . 0.0 109.983 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -59.78 -46.98 87.51 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 121.75 2.068 . . . . 0.0 109.227 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -49.19 -46.47 45.6 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.785 -0.626 . . . . 0.0 111.105 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -60.91 2.12 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.08 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.49 53.92 0.01 OUTLIER Glycine 0 C--N 1.353 1.516 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.349 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.4 mmt -110.3 144.08 39.55 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.947 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -85.98 -31.59 21.99 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 115.633 -2.127 . . . . 0.0 109.581 173.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -114.93 149.37 37.38 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 121.533 1.969 . . . . 0.0 110.193 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.5 98.45 0.22 Allowed Glycine 0 C--N 1.359 1.812 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 147.51 50.22 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 115.63 -2.129 . . . . 0.0 108.084 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -115.88 143.91 44.77 Favored 'General case' 0 C--N 1.362 1.142 0 CA-C-N 121.104 1.774 . . . . 0.0 107.418 166.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 29.5 mmt -109.63 135.27 50.87 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 103.145 -2.909 . . . . 0.0 103.145 168.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -45.13 94.13 0.01 OUTLIER 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.643 1.111 . . . . 0.0 110.36 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.73 -69.47 0.35 Allowed Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -176.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -131.71 159.86 37.15 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.735 -1.602 . . . . 0.0 110.383 -172.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 34.0 m -102.09 140.65 36.09 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 119.241 0.928 . . . . 0.0 111.347 -176.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -128.03 107.63 9.99 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -174.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -115.69 162.15 17.67 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.932 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -130.7 139.29 35.16 Favored Pre-proline 0 C--N 1.362 1.121 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.238 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.08 157.77 60.4 Favored 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 121.601 1.607 . . . . 0.0 111.278 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--N 1.355 0.805 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 173.012 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.923 0 CA-C-O 117.493 -1.726 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -136.61 95.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mm -87.27 152.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 140.86 45.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -102.46 66.16 0.96 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -172.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.34 143.8 21.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.944 -1.027 . . . . 0.0 109.219 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -76.14 92.67 3.25 Favored 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 -174.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.0 167.54 19.69 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 119.715 1.143 . . . . 0.0 109.108 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -122.03 -46.45 2.2 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.879 1.362 . . . . 0.0 110.219 163.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 pt -123.16 144.78 31.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.298 0 CA-C-O 123.986 1.851 . . . . 0.0 113.928 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.8 t -60.96 -37.89 84.01 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 120.744 -1.223 . . . . 0.0 108.431 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -61.86 -35.88 79.61 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.823 1.192 . . . . 0.0 112.114 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -74.1 -25.31 59.72 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.883 -2.008 . . . . 0.0 111.622 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.8 m -82.94 -19.91 36.3 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.3 1.863 . . . . 0.0 113.503 167.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.58 -44.62 81.74 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.725 -1.607 . . . . 0.0 107.662 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -61.37 5.46 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 122.431 2.378 . . . . 0.0 113.632 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -64.06 -30.07 65.91 Favored 'Trans proline' 0 C--N 1.357 1.014 0 CA-C-N 124.958 2.807 . . . . 0.0 111.123 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.3 m -62.0 -37.18 83.88 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 120.306 1.412 . . . . 0.0 109.932 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.18 -45.8 83.41 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 119.843 -1.785 . . . . 0.0 108.557 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -52.73 -49.2 65.89 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.479 0.582 . . . . 0.0 110.301 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.52 95.16 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.674 -0.679 . . . . 0.0 110.121 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.07 60.9 0.23 Allowed Glycine 0 C--N 1.354 1.569 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.6 mmt -109.6 143.97 38.56 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 118.037 -0.982 . . . . 0.0 108.767 -173.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -79.86 -24.41 41.28 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 116.567 -1.682 . . . . 0.0 108.043 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -140.22 159.47 42.13 Favored 'General case' 0 C--N 1.366 1.305 0 CA-C-N 120.252 1.387 . . . . 0.0 112.894 174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.11 103.27 0.29 Allowed Glycine 0 C--N 1.361 1.94 0 CA-C-O 116.938 -2.035 . . . . 0.0 109.913 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -129.26 150.47 50.62 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 115.282 -2.294 . . . . 0.0 108.295 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.257 36.7 t -108.98 127.5 54.13 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.604 2.002 . . . . 0.0 107.285 171.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 95.3 mmm -124.12 124.97 43.67 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.1 t30 57.15 -156.18 0.31 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.4 -4.05 63.6 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-O 115.385 -2.897 . . . . 0.0 113.896 178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -106.4 161.82 14.24 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 122.571 3.186 . . . . 0.0 109.564 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.8 m -110.44 144.95 38.46 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 119.386 0.994 . . . . 0.0 109.87 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.85 110.2 12.35 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 117.159 -1.401 . . . . 0.0 107.265 -171.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.2 m -116.96 156.99 26.49 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.575 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.7 p -123.56 136.8 27.64 Favored Pre-proline 0 C--N 1.36 1.061 0 CA-C-O 115.055 -2.402 . . . . 0.0 108.025 -177.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.23 161.06 41.34 Favored 'Trans proline' 0 C--N 1.363 1.33 0 CA-C-N 122.118 1.792 . . . . 0.0 113.297 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? . . . . . 0 C--N 1.358 0.945 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 171.553 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.174 -1.571 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.4 t -92.61 97.59 7.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 65.8 mt -87.05 141.87 13.75 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.0 pt -136.54 129.66 45.92 Favored 'Isoleucine or valine' 0 C--N 1.36 1.029 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -98.61 78.07 2.34 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -171.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.28 143.0 37.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.552 -1.214 . . . . 0.0 109.397 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -60.36 86.67 0.01 OUTLIER 'General case' 0 C--N 1.358 0.971 0 CA-C-N 119.497 1.044 . . . . 0.0 108.937 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -81.42 157.13 25.06 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-N 120.645 1.566 . . . . 0.0 108.18 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -123.6 -47.86 1.95 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.433 1.083 . . . . 0.0 110.527 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -117.3 128.19 74.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 CA-C-O 123.39 1.567 . . . . 0.0 111.27 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.4 p -55.41 -31.84 62.18 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 117.215 -1.374 . . . . 0.0 108.469 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -61.67 -40.83 96.32 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.685 1.584 . . . . 0.0 111.429 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.46 -22.39 62.69 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.163 -176.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -84.61 -19.87 32.3 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.995 1.725 . . . . 0.0 113.38 166.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.19 -39.24 78.8 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 116.551 -1.69 . . . . 0.0 107.748 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.29 -60.45 6.86 Favored Pre-proline 0 C--N 1.356 0.851 0 CA-C-N 123.053 2.661 . . . . 0.0 112.45 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.6 -29.13 52.46 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 125.106 2.859 . . . . 0.0 111.799 -177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.2 m -67.09 -46.55 73.91 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.803 1.638 . . . . 0.0 111.034 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -35.86 81.53 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 118.93 -2.356 . . . . 0.0 108.436 175.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.87 -48.15 80.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.495 0.589 . . . . 0.0 110.151 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.61 -49.16 69.78 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.94 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.63 57.21 0.07 OUTLIER Glycine 0 C--N 1.354 1.537 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mmm -111.13 148.87 31.76 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.223 -174.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 ttt-85 -83.91 -31.7 25.52 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.571 -1.681 . . . . 0.0 109.403 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -127.55 153.81 45.93 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.286 1.403 . . . . 0.0 111.969 176.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 94.09 0.18 Allowed Glycine 0 C--N 1.363 2.051 0 CA-C-O 117.472 -1.738 . . . . 0.0 109.598 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.39 151.48 51.83 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 115.944 -1.979 . . . . 0.0 109.979 -173.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 t -120.23 156.29 31.46 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 121.045 1.748 . . . . 0.0 110.264 173.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' GLY . 10.3 mmt -113.78 136.68 52.59 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 104.251 -2.499 . . . . 0.0 104.251 161.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -43.89 92.12 0.0 OUTLIER 'General case' 0 C--N 1.358 0.948 0 O-C-N 124.441 1.088 . . . . 0.0 110.553 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.74 -71.58 0.29 Allowed Glycine 0 C--N 1.354 1.546 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -175.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -131.58 150.32 52.19 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.074 -1.441 . . . . 0.0 111.233 -171.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.3 m -95.62 146.85 24.16 Favored 'General case' 0 C--N 1.361 1.084 0 CA-C-N 119.08 0.855 . . . . 0.0 111.69 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -132.47 106.99 8.19 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -173.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -114.03 155.23 26.3 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.579 176.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.9 p -126.87 137.7 31.09 Favored Pre-proline 0 C--N 1.361 1.107 0 CA-C-O 115.794 -2.051 . . . . 0.0 108.789 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.24 161.82 39.82 Favored 'Trans proline' 0 C--N 1.364 1.382 0 CA-C-N 121.787 1.674 . . . . 0.0 114.329 -166.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.6 tttp . . . . . 0 C--N 1.359 0.996 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 173.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.993 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.13 87.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-N 119.673 1.736 . . . . 0.0 106.514 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.76 140.76 16.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 104.921 -2.251 . . . . 0.0 104.921 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -126.34 122.44 61.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 167.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -94.11 87.36 5.27 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.425 -170.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.44 142.25 29.27 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 CA-C-N 119.657 1.117 . . . . 0.0 113.63 -175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 88.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-O 118.629 -0.701 . . . . 0.0 110.902 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 p -84.07 166.04 18.03 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 119.605 1.093 . . . . 0.0 109.671 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -125.83 -48.44 1.64 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.6 -1.19 . . . . 0.0 111.0 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -118.9 133.95 64.09 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-O 123.476 1.608 . . . . 0.0 112.833 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.5 p -57.22 -35.18 69.34 Favored 'General case' 0 CA--C 1.504 -0.791 0 O-C-N 120.622 -1.298 . . . . 0.0 108.17 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -61.3 -41.04 96.31 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.274 1.397 . . . . 0.0 111.473 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.86 -24.94 63.51 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 116.07 -1.919 . . . . 0.0 111.961 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -84.64 -20.15 31.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.922 1.692 . . . . 0.0 113.474 168.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -67.11 -40.27 86.83 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.837 -1.554 . . . . 0.0 107.799 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.58 -62.76 3.21 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-N 122.487 2.403 . . . . 0.0 112.632 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.69 -31.23 49.78 Favored 'Trans proline' 0 C--N 1.358 1.075 0 CA-C-N 124.909 2.789 . . . . 0.0 112.101 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.5 m -58.94 -37.25 76.3 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.021 1.282 . . . . 0.0 109.273 175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -69.08 -48.55 62.4 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.45 1.477 . . . . 0.0 108.514 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -44.22 -51.55 8.14 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 118.461 0.573 . . . . 0.0 110.4 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.69 -51.53 62.01 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.727 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.85 60.74 0.07 OUTLIER Glycine 0 C--N 1.355 1.626 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -103.04 153.8 19.9 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -85.47 -34.92 21.52 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-O 116.025 -1.94 . . . . 0.0 107.558 177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -127.31 155.87 42.86 Favored 'General case' 0 C--N 1.368 1.385 0 CA-C-N 120.259 1.391 . . . . 0.0 110.742 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.01 97.22 0.19 Allowed Glycine 0 C--N 1.36 1.907 0 CA-C-O 116.711 -2.161 . . . . 0.0 111.421 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -132.79 160.23 37.46 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 120.417 2.108 . . . . 0.0 111.135 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 8.6 t -118.48 152.58 35.67 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 169.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.2 mmt -113.03 139.13 48.93 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 103.919 -2.622 . . . . 0.0 103.919 165.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -45.26 93.25 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.79 1.177 . . . . 0.0 110.541 -170.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.15 -67.64 0.39 Allowed Glycine 0 C--N 1.355 1.603 0 CA-C-O 118.091 -1.394 . . . . 0.0 110.222 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -133.83 153.06 52.0 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.787 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -99.46 139.18 35.49 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 119.699 1.136 . . . . 0.0 110.489 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -133.33 114.2 13.46 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.952 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.9 m -117.88 162.41 18.16 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.003 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -122.94 136.51 26.93 Favored Pre-proline 0 C--N 1.36 1.046 0 CA-C-O 115.522 -2.18 . . . . 0.0 108.036 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.77 162.47 41.09 Favored 'Trans proline' 0 C--N 1.362 1.264 0 CA-C-N 122.098 1.785 . . . . 0.0 111.623 -170.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.83 ' OXT' ' HD3' ' A' ' 38' ' ' LYS . 8.9 tmtm? . . . . . 0 C--N 1.355 0.844 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 171.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.99 0 CA-C-O 117.373 -1.793 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.5 t -143.81 132.52 19.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-N 119.445 1.622 . . . . 0.0 108.594 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mm -117.02 143.32 27.6 Favored 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 106.864 -1.532 . . . . 0.0 106.864 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.1 pt -139.85 138.78 38.32 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 119.737 1.153 . . . . 0.0 109.204 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -102.15 74.05 1.41 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -126.57 141.05 47.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.706 -1.14 . . . . 0.0 110.527 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -62.68 98.85 0.13 Allowed 'General case' 0 C--N 1.358 0.974 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.5 p -85.03 163.73 18.67 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 120.701 1.591 . . . . 0.0 107.885 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HZ1' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -122.64 -50.27 1.98 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.322 1.013 . . . . 0.0 109.345 168.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.7 pt -121.61 138.05 53.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.26 0 CA-C-O 123.691 1.71 . . . . 0.0 112.795 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 p -58.16 -36.11 72.53 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.6 -1.313 . . . . 0.0 108.125 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -60.69 -40.44 92.2 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.922 1.237 . . . . 0.0 111.328 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.82 -23.51 62.37 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.116 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.51 -21.49 32.75 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.094 1.77 . . . . 0.0 112.968 167.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 tp -66.74 -36.52 82.66 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.457 -1.735 . . . . 0.0 107.842 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.23 -62.04 5.5 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-N 123.348 2.794 . . . . 0.0 112.99 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.75 -29.47 68.68 Favored 'Trans proline' 0 C--N 1.354 0.856 0 CA-C-N 125.361 2.95 . . . . 0.0 111.127 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.0 m -64.67 -43.03 94.9 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.158 1.345 . . . . 0.0 111.472 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 121.9 2.136 . . . . 0.0 109.647 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -61.37 -49.05 78.5 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.106 0.866 . . . . 0.0 109.072 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.93 79.29 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.116 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 55.24 0.09 OUTLIER Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.0 mmt -109.9 140.2 44.13 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.19 -40.78 51.48 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 104.428 -2.434 . . . . 0.0 104.428 177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -113.81 153.45 29.1 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 120.672 1.578 . . . . 0.0 112.486 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.71 95.41 0.17 Allowed Glycine 0 C--N 1.361 1.957 0 CA-C-O 117.103 -1.943 . . . . 0.0 110.032 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -131.28 154.85 48.07 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.747 1.774 . . . . 0.0 110.501 -176.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.3 t -116.68 149.33 39.98 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.1 mmt -116.37 130.56 56.84 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 167.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -35.86 93.44 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.546 1.153 . . . . 0.0 112.245 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.03 -69.24 0.4 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 118.349 -1.251 . . . . 0.0 110.024 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -123.45 155.04 38.21 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 116.489 -1.719 . . . . 0.0 109.352 -170.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -103.07 143.18 32.92 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.989 1.268 . . . . 0.0 111.427 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -134.7 112.97 11.21 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.824 -172.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.1 m -118.03 162.19 18.58 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.886 -1.53 . . . . 0.0 109.722 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.9 p -129.66 134.12 25.84 Favored Pre-proline 0 C--N 1.361 1.106 0 CA-C-O 115.721 -2.085 . . . . 0.0 109.662 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.07 154.6 52.53 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.341 1.361 . . . . 0.0 111.524 -170.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 C--N 1.356 0.849 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 172.5 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.949 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 83.9 t -112.79 88.22 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 3' ' ' ILE . 2.4 mp -94.08 146.85 6.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 N-CA-C 105.439 -2.06 . . . . 0.0 105.439 177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.6 pt -135.14 140.78 44.46 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -99.48 76.47 2.03 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.1 t -123.74 142.47 40.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.74 -178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 pttm -60.28 91.42 0.02 OUTLIER 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.552 1.069 . . . . 0.0 109.201 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -80.87 160.08 24.85 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 120.96 1.709 . . . . 0.0 108.316 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.56 -53.7 1.78 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 pt -116.17 131.66 68.02 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.54 1.638 . . . . 0.0 112.03 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 t -56.87 -30.4 63.83 Favored 'General case' 0 CA--C 1.506 -0.725 0 O-C-N 120.356 -1.465 . . . . 0.0 109.191 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -65.81 -40.44 91.87 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 120.196 1.362 . . . . 0.0 109.174 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.98 -22.38 64.11 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 121.875 2.125 . . . . 0.0 112.739 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.1 m -84.25 -18.17 37.37 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.54 1.973 . . . . 0.0 112.835 166.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.67 -40.72 92.71 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.315 -1.802 . . . . 0.0 107.437 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -52.65 -65.49 1.05 Allowed Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 122.895 2.589 . . . . 0.0 112.905 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.95 -30.29 83.29 Favored 'Trans proline' 0 C--N 1.356 0.931 0 CA-C-N 125.161 2.879 . . . . 0.0 111.634 -174.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.8 m -63.38 -37.72 88.38 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 119.845 1.202 . . . . 0.0 110.608 176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -39.94 56.79 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.657 2.026 . . . . 0.0 109.376 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -57.54 -46.4 83.94 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.237 0.926 . . . . 0.0 108.888 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.55 67.79 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.684 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.54 62.02 0.08 OUTLIER Glycine 0 C--N 1.356 1.678 0 CA-C-N 118.777 0.717 . . . . 0.0 111.575 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.75 150.26 28.58 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.177 -0.916 . . . . 0.0 109.822 -176.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -85.75 -26.91 25.56 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.547 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -128.25 152.0 48.61 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.138 1.79 . . . . 0.0 111.599 175.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.24 96.12 0.19 Allowed Glycine 0 C--N 1.359 1.83 0 CA-C-O 116.573 -2.237 . . . . 0.0 109.363 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -129.39 152.47 48.9 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 120.239 2.019 . . . . 0.0 109.596 -176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.0 t -115.61 149.08 38.85 Favored 'General case' 0 C--N 1.364 1.207 0 CA-C-N 121.044 1.747 . . . . 0.0 108.387 168.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 92.4 mmm -111.59 127.63 55.8 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 168.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -41.61 94.92 0.01 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.959 1.254 . . . . 0.0 111.083 -169.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 148.81 -69.84 0.33 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 -176.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 159.81 35.53 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 116.216 -1.849 . . . . 0.0 109.708 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 33.2 m -99.26 142.66 30.46 Favored 'General case' 0 C--N 1.361 1.101 0 CA-C-N 119.9 1.227 . . . . 0.0 111.908 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -130.15 103.21 6.6 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -173.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.6 m -115.61 160.37 20.09 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.496 -1.24 . . . . 0.0 109.979 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -127.53 135.82 28.01 Favored Pre-proline 0 C--N 1.361 1.069 0 CA-C-O 116.122 -1.894 . . . . 0.0 108.667 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.53 167.92 25.03 Favored 'Trans proline' 0 C--N 1.365 1.4 0 CA-C-N 121.273 1.49 . . . . 0.0 112.09 -168.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.873 ' OXT' ' HD3' ' A' ' 38' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.52 102.34 7.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.6 mm -100.25 134.76 38.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-O 116.19 -1.862 . . . . 0.0 106.078 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.8 pt -136.76 140.94 42.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 120.943 1.701 . . . . 0.0 108.28 173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -100.79 70.12 1.39 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -172.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.6 t -114.75 139.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-O 117.565 -1.207 . . . . 0.0 109.658 -176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.94 90.57 0.31 Allowed 'General case' 0 C--N 1.359 0.987 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.7 p -82.55 161.46 22.3 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.53 -40.03 2.5 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 124.896 1.372 . . . . 0.0 109.78 169.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -124.66 140.34 48.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 CA-C-O 124.213 1.958 . . . . 0.0 113.917 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.0 p -61.52 -31.87 71.88 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.4 -1.437 . . . . 0.0 108.557 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -65.03 -37.44 87.61 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 120.421 1.464 . . . . 0.0 111.082 177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -71.88 -25.94 62.14 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 115.694 -2.098 . . . . 0.0 111.962 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.2 m -84.25 -17.92 38.16 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 121.52 1.964 . . . . 0.0 113.191 167.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.12 -40.95 86.93 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.035 -1.459 . . . . 0.0 108.053 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -62.4 4.3 Favored Pre-proline 0 C--N 1.356 0.85 0 CA-C-N 121.816 2.098 . . . . 0.0 112.59 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.36 -29.16 63.15 Favored 'Trans proline' 0 C--N 1.357 1.022 0 CA-C-N 124.712 2.719 . . . . 0.0 111.222 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.82 -37.25 83.74 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.174 1.352 . . . . 0.0 109.835 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -66.17 -45.09 82.11 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 121.479 1.945 . . . . 0.0 109.621 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -53.6 -45.2 69.95 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.167 0.894 . . . . 0.0 109.592 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.91 61.78 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.162 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.71 58.47 0.09 OUTLIER Glycine 0 C--N 1.355 1.634 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mmt -110.34 142.75 41.56 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.354 -173.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -75.61 -39.45 57.89 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.618 -1.658 . . . . 0.0 107.55 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -116.16 151.22 36.1 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-N 119.702 1.137 . . . . 0.0 111.61 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.02 97.33 0.24 Allowed Glycine 0 C--N 1.359 1.823 0 N-CA-C 107.321 -2.312 . . . . 0.0 107.321 177.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tpmt? -125.47 132.91 52.59 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 115.36 -2.257 . . . . 0.0 106.485 -175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 20.1 t -110.76 144.28 39.99 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 106.018 -1.845 . . . . 0.0 106.018 169.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 98.4 mmm -113.93 135.5 53.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -42.75 92.16 0.0 OUTLIER 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.439 1.087 . . . . 0.0 111.656 -167.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.83 -67.23 0.41 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.992 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -125.13 156.66 37.99 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 116.471 -1.728 . . . . 0.0 110.215 -171.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 m -103.17 141.63 35.53 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-N 119.882 1.219 . . . . 0.0 111.441 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -134.45 102.94 5.5 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -172.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.9 m -111.02 168.83 9.19 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.219 -1.372 . . . . 0.0 108.908 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.7 p -138.15 141.05 30.72 Favored Pre-proline 0 C--N 1.36 1.025 0 CA-C-O 115.496 -2.193 . . . . 0.0 110.169 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -72.42 153.68 55.59 Favored 'Trans proline' 0 C--N 1.365 1.416 0 CA-C-N 121.815 1.684 . . . . 0.0 112.044 -170.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.927 ' OXT' ' HD2' ' A' ' 38' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 170.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 CA-C-O 117.565 -1.686 . . . . 0.0 108.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t -139.82 106.4 2.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mm -93.41 147.14 5.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -126.22 139.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -99.2 70.38 1.76 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 -172.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.51 140.24 46.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.891 0 CA-C-O 117.612 -1.185 . . . . 0.0 109.179 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -62.18 106.06 0.68 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 119.985 1.266 . . . . 0.0 108.443 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 15.2 p -91.67 161.39 14.93 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 121.547 1.976 . . . . 0.0 108.166 175.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -121.97 -40.76 2.49 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.406 1.066 . . . . 0.0 111.182 163.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.21 133.38 69.28 Favored 'Isoleucine or valine' 0 C--N 1.369 1.45 0 CA-C-O 124.499 2.095 . . . . 0.0 112.224 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.4 p -58.25 -34.68 70.74 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.453 -1.404 . . . . 0.0 107.613 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.571 HH21 ' CD ' ' A' ' 16' ' ' GLU . 1.8 ttp-105 -64.9 -35.55 81.5 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 119.839 1.2 . . . . 0.0 110.981 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.14 -25.7 61.82 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 115.7 -2.095 . . . . 0.0 112.564 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.3 m -85.22 -20.8 29.59 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.524 1.966 . . . . 0.0 112.86 168.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.02 -38.69 92.21 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.463 -1.256 . . . . 0.0 107.68 175.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.571 ' CD ' HH21 ' A' ' 12' ' ' ARG . 99.0 mt-10 -58.88 -61.48 7.69 Favored Pre-proline 0 C--N 1.354 0.763 0 CA-C-N 121.109 1.777 . . . . 0.0 113.192 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.13 -28.86 80.22 Favored 'Trans proline' 0 C--N 1.359 1.104 0 CA-C-N 125.633 3.047 . . . . 0.0 111.146 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.24 -38.56 90.72 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.14 1.336 . . . . 0.0 110.925 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -35.63 76.57 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 122.617 2.462 . . . . 0.0 109.08 178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.45 -47.87 83.72 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -44.8 95.6 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.527 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.68 56.82 0.19 Allowed Glycine 0 C--N 1.354 1.578 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.9 mmm -111.99 147.02 36.81 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.333 -173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -81.85 -33.45 30.64 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 116.611 -1.662 . . . . 0.0 110.122 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -122.16 153.04 39.29 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-N 120.268 1.395 . . . . 0.0 110.635 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.35 89.72 0.16 Allowed Glycine 0 C--N 1.359 1.818 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -127.63 152.6 47.47 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 116.11 -1.9 . . . . 0.0 108.361 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.5 t -113.5 147.77 37.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 120.497 1.499 . . . . 0.0 109.019 170.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.3 mmm -109.46 129.61 55.54 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 167.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -39.17 95.84 0.01 OUTLIER 'General case' 0 C--N 1.356 0.889 0 O-C-N 124.559 1.162 . . . . 0.0 111.11 -171.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.3 -71.06 0.4 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -127.21 161.8 27.67 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 116.45 -1.738 . . . . 0.0 109.961 -173.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.3 m -101.85 144.8 30.06 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-N 119.584 1.084 . . . . 0.0 112.169 -175.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -127.93 106.0 8.8 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.66 157.14 23.51 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.929 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 p -128.56 136.61 29.38 Favored Pre-proline 0 C--N 1.361 1.08 0 CA-C-O 115.518 -2.182 . . . . 0.0 109.054 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.44 156.66 50.01 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 121.979 1.743 . . . . 0.0 112.961 -169.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 C--N 1.357 0.933 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 171.841 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.963 0 N-CA-C 108.557 -1.817 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.3 t -136.2 93.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.1 mt -75.77 145.4 10.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.409 -1.281 . . . . 0.0 107.669 -176.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.0 pt -138.1 127.06 32.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 CA-C-N 119.198 0.908 . . . . 0.0 108.868 173.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -96.56 81.23 3.19 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.0 t -126.34 141.2 46.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.471 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 104.2 0.56 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -91.69 167.31 12.28 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-N 122.289 2.313 . . . . 0.0 105.421 174.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -121.8 -42.74 2.39 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.866 1.979 . . . . 0.0 110.286 154.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 pt -123.81 147.03 28.34 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 CA-C-O 123.981 1.848 . . . . 0.0 114.201 -173.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -64.17 -32.94 74.71 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-O 116.861 -1.542 . . . . 0.0 109.257 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.6 -39.79 94.36 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 121.482 1.946 . . . . 0.0 110.871 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.4 -28.74 66.42 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.405 -1.76 . . . . 0.0 111.769 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -83.36 -20.93 33.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.503 1.501 . . . . 0.0 113.478 170.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.97 -38.83 86.78 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-O 116.779 -1.582 . . . . 0.0 108.328 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.96 -62.78 3.32 Favored Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 122.429 2.377 . . . . 0.0 111.899 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -65.77 -27.87 51.86 Favored 'Trans proline' 0 C--N 1.358 1.028 0 CA-C-N 124.989 2.818 . . . . 0.0 112.879 -176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.12 -44.24 95.04 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.51 1.505 . . . . 0.0 108.456 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -67.89 -44.06 77.87 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.8 -1.187 . . . . 0.0 108.979 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -45.8 -52.96 10.37 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.213 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.16 -56.13 16.94 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.28 -175.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.58 50.67 0.01 OUTLIER Glycine 0 C--N 1.352 1.445 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.361 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -106.0 141.01 38.11 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.543 -174.056 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -86.05 -23.49 26.72 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 115.409 -2.234 . . . . 0.0 107.234 175.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -137.69 165.9 25.27 Favored 'General case' 0 C--N 1.367 1.368 0 CA-C-N 121.512 1.96 . . . . 0.0 111.593 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.7 129.6 2.96 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-O 117.247 -1.863 . . . . 0.0 109.716 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.49 135.75 49.02 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 115.771 -2.061 . . . . 0.0 107.539 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.268 46.6 t -109.31 141.06 42.17 Favored 'General case' 0 C--N 1.364 1.227 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 167.395 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.429 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -112.91 127.46 56.21 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 167.351 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.3 94.08 0.01 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 124.658 1.224 . . . . 0.0 110.998 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.63 -72.4 0.32 Allowed Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.23 166.34 16.67 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.507 -1.235 . . . . 0.0 109.325 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.9 m -115.39 156.26 25.88 Favored 'General case' 0 C--N 1.359 1.007 0 O-C-N 123.975 0.797 . . . . 0.0 111.114 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -129.93 123.49 30.85 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.9 m -101.97 132.7 47.64 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.1 m -113.97 106.01 53.82 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 116.8 -1.571 . . . . 0.0 108.694 -170.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 158.49 56.7 Favored 'Trans proline' 0 C--N 1.365 1.409 0 CA-C-N 120.789 1.318 . . . . 0.0 110.336 -167.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? . . . . . 0 C--N 1.356 0.85 0 C-N-CA 117.894 -1.522 . . . . 0.0 107.028 176.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.925 0 CA-C-O 117.594 -1.67 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.1 t -143.24 138.34 26.51 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 119.214 1.507 . . . . 0.0 108.412 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.6 mm -114.27 146.76 18.37 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.0 pt -133.71 133.48 56.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 169.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -97.18 71.95 2.43 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 120.055 1.298 . . . . 0.0 108.301 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.1 141.83 30.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.497 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -67.19 92.86 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.9 p -83.35 166.2 18.65 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 120.637 1.562 . . . . 0.0 109.099 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -125.22 -54.55 1.59 Allowed 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.296 0.997 . . . . 0.0 108.795 167.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 pt -114.31 135.64 53.43 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 CA-C-O 123.614 1.673 . . . . 0.0 112.615 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 p -56.91 -35.9 69.56 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -61.46 -40.88 96.09 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 120.201 1.364 . . . . 0.0 111.486 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -70.61 -23.12 62.49 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.003 -1.951 . . . . 0.0 112.413 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.6 m -84.41 -21.71 30.68 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 121.101 1.773 . . . . 0.0 112.704 167.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.47 -35.95 80.18 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.305 -1.807 . . . . 0.0 107.497 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.02 -63.8 2.37 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-N 123.325 2.784 . . . . 0.0 112.881 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.19 -31.37 54.03 Favored 'Trans proline' 0 C--N 1.356 0.947 0 CA-C-N 124.793 2.748 . . . . 0.0 112.117 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.55 -39.87 95.0 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.644 1.565 . . . . 0.0 110.885 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -51.35 68.43 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 120.905 -1.122 . . . . 0.0 108.34 177.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -55.34 -47.06 76.25 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.898 -0.572 . . . . 0.0 110.709 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.48 82.95 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.291 178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.74 57.4 0.22 Allowed Glycine 0 C--N 1.353 1.527 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.5 mmt -104.73 143.76 32.66 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.321 -174.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -72.27 -36.34 68.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.33 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.63 157.41 45.83 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 119.995 1.27 . . . . 0.0 113.056 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.65 105.21 0.37 Allowed Glycine 0 C--N 1.362 2.0 0 CA-C-O 117.406 -1.774 . . . . 0.0 109.921 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -137.68 158.1 45.08 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 116.282 -1.818 . . . . 0.0 109.52 -175.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 t -116.13 148.08 40.68 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 120.654 1.57 . . . . 0.0 108.232 172.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -110.97 125.16 53.41 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 167.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -39.95 96.45 0.01 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.167 1.348 . . . . 0.0 111.461 -170.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.35 -70.25 0.42 Allowed Glycine 0 C--N 1.356 1.642 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -121.46 159.08 26.99 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 116.714 -1.612 . . . . 0.0 110.147 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 3.8 m -102.08 148.8 24.95 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.433 1.015 . . . . 0.0 111.625 -179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -131.68 115.3 15.85 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 116.947 -1.501 . . . . 0.0 108.138 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.3 m -119.79 163.18 17.87 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.52 1.509 . . . . 0.0 109.725 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.0 p -131.72 136.56 28.63 Favored Pre-proline 0 C--N 1.36 1.026 0 CA-C-O 115.629 -2.129 . . . . 0.0 109.139 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.94 157.24 43.13 Favored 'Trans proline' 0 C--N 1.364 1.374 0 CA-C-N 121.579 1.6 . . . . 0.0 112.474 -169.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt . . . . . 0 C--N 1.356 0.874 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 169.66 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.921 0 CA-C-O 118.437 -1.201 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -139.33 81.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.0 140.31 16.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 pt -124.78 106.64 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 104.3 -2.481 . . . . 0.0 104.3 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -91.31 77.5 5.86 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -169.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -137.57 149.7 25.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 CA-C-O 118.74 -0.648 . . . . 0.0 112.468 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -61.68 108.27 0.96 Allowed 'General case' 0 C--N 1.358 0.941 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.233 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.9 p -88.72 174.66 7.88 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.333 0.97 . . . . 0.0 109.625 173.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -121.68 -53.38 1.99 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 162.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -122.49 146.27 27.97 Favored 'Isoleucine or valine' 0 C--N 1.366 1.32 0 CA-C-O 124.575 2.131 . . . . 0.0 115.255 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.1 m -59.13 -41.23 87.76 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.675 -1.266 . . . . 0.0 108.768 -176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -60.47 -35.51 76.06 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.529 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -75.73 -19.87 58.74 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.758 -2.068 . . . . 0.0 111.794 -176.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.4 m -85.69 -19.19 31.25 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 121.457 1.935 . . . . 0.0 112.749 165.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -67.24 -37.71 84.0 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.357 -1.782 . . . . 0.0 107.736 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -61.24 8.06 Favored Pre-proline 0 C--N 1.355 0.844 0 CA-C-N 123.034 2.652 . . . . 0.0 112.359 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -64.6 -32.83 57.73 Favored 'Trans proline' 0 C--N 1.361 1.214 0 CA-C-N 125.769 3.096 . . . . 0.0 111.732 -175.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -62.61 -37.43 86.24 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.527 1.512 . . . . 0.0 109.972 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -60.29 -47.99 83.66 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 121.069 1.759 . . . . 0.0 108.711 175.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -58.61 -46.06 87.83 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.107 -174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.59 87.04 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 118.894 0.77 . . . . 0.0 110.138 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.21 53.9 0.16 Allowed Glycine 0 C--N 1.354 1.566 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.8 mmt -113.11 140.48 47.85 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -73.92 -39.79 63.57 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.865 -1.54 . . . . 0.0 107.088 176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -114.88 153.45 30.46 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 119.718 1.144 . . . . 0.0 112.629 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -152.94 87.6 0.13 Allowed Glycine 0 C--N 1.366 2.199 0 CA-C-O 115.446 -2.863 . . . . 0.0 113.339 -175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.49 164.91 23.78 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 121.619 2.709 . . . . 0.0 111.256 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 116.935 -1.507 . . . . 0.0 110.358 170.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.9 mmt -125.19 162.93 23.56 Favored 'General case' 0 C--N 1.358 0.949 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 171.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t30 48.88 -108.18 0.26 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.619 -1.658 . . . . 0.0 107.726 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.43 24.17 2.94 Favored Glycine 0 C--N 1.356 1.675 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.116 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.12 153.94 43.84 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.369 2.085 . . . . 0.0 107.745 -176.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -103.41 140.24 37.73 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-N 119.44 1.018 . . . . 0.0 111.832 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -127.62 115.07 18.21 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.69 158.29 24.04 Favored 'General case' 0 C--N 1.361 1.068 0 CA-C-O 117.527 -1.225 . . . . 0.0 110.974 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 p -134.09 137.45 28.27 Favored Pre-proline 0 C--N 1.363 1.174 0 CA-C-O 115.71 -2.091 . . . . 0.0 110.415 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.65 155.0 63.86 Favored 'Trans proline' 0 C--N 1.369 1.647 0 CA-C-N 121.286 1.495 . . . . 0.0 113.093 -167.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.357 0.916 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 173.808 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.891 0 CA-C-O 117.28 -1.845 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.7 t -131.98 101.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 86.8 mt -78.95 144.88 10.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.6 pt -138.35 136.5 44.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 173.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -99.86 64.49 1.25 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -171.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.3 145.94 13.51 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.185 -0.912 . . . . 0.0 108.977 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -81.08 85.78 6.25 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.3 p -83.07 165.11 19.85 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 119.988 1.267 . . . . 0.0 108.879 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -121.24 -31.38 4.12 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.114 1.509 . . . . 0.0 112.304 157.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.0 pt -127.22 140.45 49.05 Favored 'Isoleucine or valine' 0 C--N 1.371 1.521 0 CA-C-O 123.97 1.843 . . . . 0.0 113.726 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -62.13 -34.42 76.33 Favored 'General case' 0 CA--C 1.505 -0.758 0 O-C-N 120.53 -1.356 . . . . 0.0 108.278 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -63.3 -39.0 93.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 120.687 1.585 . . . . 0.0 111.516 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.74 -28.01 65.43 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.093 -1.908 . . . . 0.0 111.463 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.5 m -83.7 -18.62 37.33 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.783 1.629 . . . . 0.0 113.506 169.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.0 tp -67.38 -38.13 84.23 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 116.967 -1.492 . . . . 0.0 108.088 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.53 -63.27 2.64 Favored Pre-proline 0 C--N 1.355 0.835 0 CA-C-N 122.055 2.207 . . . . 0.0 111.963 178.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -65.51 -30.3 52.32 Favored 'Trans proline' 0 C--N 1.359 1.093 0 CA-C-N 124.655 2.698 . . . . 0.0 112.262 -176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.59 -49.28 78.18 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.216 1.371 . . . . 0.0 108.828 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -63.39 -46.95 84.06 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 119.977 -1.702 . . . . 0.0 108.654 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -49.43 -46.0 47.11 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.118 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.42 -62.19 1.5 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.821 -0.752 . . . . 0.0 109.413 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.22 50.13 0.02 OUTLIER Glycine 0 C--N 1.353 1.515 0 C-N-CA 120.417 -0.897 . . . . 0.0 113.669 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.57 152.04 24.23 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 118.541 -0.743 . . . . 0.0 111.019 -178.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -88.46 -27.15 21.69 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.957 -1.973 . . . . 0.0 108.591 170.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -137.75 163.16 32.04 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.311 1.869 . . . . 0.0 112.458 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.49 122.01 1.78 Allowed Glycine 0 C--N 1.357 1.713 0 CA-C-O 117.268 -1.851 . . . . 0.0 108.892 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -130.42 138.06 50.15 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 116.06 -1.924 . . . . 0.0 107.126 -176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 18.6 t -110.17 143.17 40.67 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 2.9 mmt -113.08 133.42 55.01 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 170.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -40.49 94.25 0.01 OUTLIER 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.541 1.15 . . . . 0.0 111.276 -168.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 143.74 -70.33 0.4 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.1 161.24 27.22 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 117.644 -1.169 . . . . 0.0 111.267 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.9 m -109.73 155.91 20.96 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.507 1.13 . . . . 0.0 111.965 -176.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -129.87 120.49 25.01 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.0 m -104.77 114.39 28.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 m -98.14 110.43 56.03 Favored Pre-proline 0 C--N 1.361 1.077 0 CA-C-O 116.271 -1.823 . . . . 0.0 110.205 -169.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.66 156.17 64.34 Favored 'Trans proline' 0 C--N 1.366 1.486 0 CA-C-N 121.263 1.487 . . . . 0.0 112.831 -165.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? . . . . . 0 C--N 1.356 0.866 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 173.823 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.937 0 CA-C-O 117.143 -1.921 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.0 t -131.94 123.57 51.56 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 119.663 1.731 . . . . 0.0 106.809 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.449 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.5 mp -100.67 143.85 13.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.0 pt -134.73 142.72 39.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 170.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -96.11 67.81 2.64 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 -167.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.6 t -115.21 138.28 46.05 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.59 -175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -67.23 89.25 0.19 Allowed 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.25 11.7 p -83.0 154.01 24.69 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -116.64 -22.49 8.62 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.888 159.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -129.35 142.9 42.77 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 CA-C-O 124.104 1.907 . . . . 0.0 112.876 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -63.7 -33.81 76.48 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 120.198 -1.564 . . . . 0.0 108.415 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 111.192 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -72.35 -22.87 61.09 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 120.923 1.692 . . . . 0.0 111.554 -176.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.2 m -77.53 -30.92 53.07 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 120.695 1.589 . . . . 0.0 112.198 167.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.1 tp -66.09 -41.62 90.43 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 116.92 -1.514 . . . . 0.0 110.199 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.04 -62.43 2.84 Favored Pre-proline 0 C--N 1.357 0.911 0 CA-C-N 122.161 2.255 . . . . 0.0 111.736 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.15 -26.28 50.01 Favored 'Trans proline' 0 C--N 1.356 0.963 0 CA-C-N 124.594 2.676 . . . . 0.0 111.852 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.57 -45.98 87.88 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.83 1.65 . . . . 0.0 108.14 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -61.6 -49.57 76.09 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.275 -1.516 . . . . 0.0 109.571 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -48.33 -48.9 35.92 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.897 -174.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.53 -56.18 18.07 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.609 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.11 57.84 0.02 OUTLIER Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.2 mmt -117.65 146.02 43.97 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 118.599 -0.715 . . . . 0.0 111.304 -172.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -78.96 -36.71 41.06 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.665 -2.112 . . . . 0.0 107.816 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -127.07 160.1 32.18 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.039 1.745 . . . . 0.0 113.194 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.97 110.04 0.88 Allowed Glycine 0 C--N 1.358 1.804 0 N-CA-C 106.826 -2.509 . . . . 0.0 106.826 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -124.83 133.32 53.15 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 115.405 -2.236 . . . . 0.0 105.002 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -115.61 149.68 37.89 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 121.551 1.978 . . . . 0.0 106.155 170.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' GLY . 87.5 mmm -114.28 138.1 50.93 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 103.529 -2.767 . . . . 0.0 103.529 169.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -46.79 94.06 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.205 1.366 . . . . 0.0 109.855 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 145.65 -69.56 0.39 Allowed Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.418 -1.212 . . . . 0.0 110.28 -176.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 20.2 mtpp -118.34 152.98 34.77 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.098 -1.906 . . . . 0.0 110.195 -169.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -90.98 147.27 23.21 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -126.72 108.66 11.26 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.5 m -101.83 140.37 36.22 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 117.138 -1.411 . . . . 0.0 107.259 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.3 m -116.24 108.69 45.4 Favored Pre-proline 0 C--N 1.357 0.933 0 CA-C-O 116.089 -1.91 . . . . 0.0 109.348 -171.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.09 162.97 33.66 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.845 1.697 . . . . 0.0 112.976 -166.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.3 tptt . . . . . 0 C--N 1.357 0.928 0 C-N-CA 118.575 -1.25 . . . . 0.0 110.669 176.323 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.905 0 CA-C-O 117.343 -1.809 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.7 t -130.16 104.62 10.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.97 146.7 6.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.0 pt -131.61 139.97 49.35 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 171.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -102.54 68.81 1.07 Allowed 'General case' 0 C--N 1.358 0.965 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.89 141.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-O 117.296 -1.335 . . . . 0.0 108.124 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -71.55 89.03 0.95 Allowed 'General case' 0 C--N 1.36 1.051 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.288 0.5 OUTLIER -80.32 167.93 19.65 Favored 'General case' 0 CA--C 1.487 -1.478 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 178.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -125.07 -32.66 2.98 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 126.413 2.321 . . . . 0.0 112.485 156.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -126.29 151.08 32.36 Favored 'Isoleucine or valine' 0 C--N 1.368 1.41 0 CA-C-O 124.201 1.953 . . . . 0.0 114.722 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -68.24 -32.85 73.33 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.012 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -63.62 -41.33 98.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 121.462 1.937 . . . . 0.0 110.018 177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -69.52 -29.09 66.63 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.093 -1.908 . . . . 0.0 112.111 -173.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -83.37 -20.1 34.86 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.96 1.709 . . . . 0.0 113.227 169.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.44 -38.5 90.04 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 117.166 -1.397 . . . . 0.0 108.265 177.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -62.32 3.61 Favored Pre-proline 0 C--N 1.355 0.824 0 CA-C-N 121.657 2.026 . . . . 0.0 111.979 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.19 -27.69 41.21 Favored 'Trans proline' 0 C--N 1.356 0.93 0 CA-C-N 124.739 2.728 . . . . 0.0 111.781 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.2 -53.24 59.35 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.784 1.629 . . . . 0.0 108.581 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -63.91 -38.4 90.94 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.203 -1.561 . . . . 0.0 109.924 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.13 -51.83 67.75 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.78 -0.629 . . . . 0.0 110.192 -175.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.85 -48.89 78.47 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.705 -178.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.08 53.89 0.05 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 mmt -114.24 143.2 45.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 -171.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -83.19 -28.87 29.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.539 -2.172 . . . . 0.0 107.24 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.16 161.42 29.31 Favored 'General case' 0 C--N 1.369 1.44 0 CA-C-N 120.519 1.509 . . . . 0.0 112.569 177.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 113.1 1.25 Allowed Glycine 0 C--N 1.36 1.892 0 N-CA-C 107.198 -2.361 . . . . 0.0 107.198 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -129.36 124.31 33.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.867 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 38.2 t -110.72 140.61 44.95 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-N 121.496 1.953 . . . . 0.0 107.68 171.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.3 mtt -114.17 135.42 54.06 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 167.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -45.93 96.31 0.01 OUTLIER 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.204 0.94 . . . . 0.0 110.268 -171.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.2 -71.33 0.36 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 -176.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.21 172.43 10.06 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 117.091 -1.433 . . . . 0.0 109.463 -173.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.545 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 2.2 m -121.95 155.66 35.04 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 119.099 0.863 . . . . 0.0 111.506 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -130.28 116.39 18.29 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -104.16 126.8 51.56 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 174.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -101.29 122.26 48.88 Favored Pre-proline 0 C--N 1.357 0.935 0 CA-C-O 115.472 -2.204 . . . . 0.0 108.718 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.06 155.98 56.41 Favored 'Trans proline' 0 C--N 1.364 1.368 0 CA-C-N 121.989 1.746 . . . . 0.0 112.794 -168.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' OXT' ' A' ' 38' ' ' LYS . 6.6 ttpm? . . . . . 0 C--N 1.358 0.956 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 68.8 t -134.18 108.64 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.6 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 -176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.0 pt -133.91 143.47 38.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 173.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -101.26 72.8 1.46 Allowed 'General case' 0 C--N 1.357 0.92 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -172.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -124.02 138.6 53.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-O 117.315 -1.326 . . . . 0.0 109.146 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -66.46 100.39 0.65 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-O 116.776 -1.583 . . . . 0.0 107.548 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 8.5 p -84.61 161.24 20.21 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -116.46 -40.55 3.21 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.92 1.388 . . . . 0.0 108.893 160.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 pt -122.09 142.56 37.95 Favored 'Isoleucine or valine' 0 C--N 1.371 1.505 0 CA-C-O 124.421 2.058 . . . . 0.0 114.151 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -62.08 -32.86 73.45 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 117.15 -1.405 . . . . 0.0 108.863 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 24.3 tpt180 -63.04 -38.57 91.72 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.91 1.686 . . . . 0.0 111.057 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.31 -27.97 64.8 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 116.002 -1.952 . . . . 0.0 111.552 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.5 m -82.64 -20.19 36.77 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.975 1.716 . . . . 0.0 113.205 168.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.62 -39.85 84.68 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.129 -1.415 . . . . 0.0 108.761 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 2.8 mp0 -53.62 -61.09 5.63 Favored Pre-proline 0 C--N 1.357 0.895 0 CA-C-N 121.769 2.077 . . . . 0.0 111.839 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -67.33 -24.34 43.52 Favored 'Trans proline' 0 C--N 1.357 0.977 0 CA-C-N 125.088 2.853 . . . . 0.0 112.075 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.5 m -59.37 -42.05 90.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 121.056 1.753 . . . . 0.0 107.134 174.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -62.44 -49.06 76.96 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.031 -1.668 . . . . 0.0 110.365 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -55.58 -37.62 68.31 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.831 1.196 . . . . 0.0 111.06 -171.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -56.02 9.26 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.066 0.848 . . . . 0.0 109.469 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.56 52.77 0.02 OUTLIER Glycine 0 C--N 1.354 1.555 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.42 133.52 54.45 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.4 tpt85 -82.55 -22.47 34.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 115.424 -2.226 . . . . 0.0 107.149 -178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -136.76 168.18 20.01 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 121.094 1.77 . . . . 0.0 111.411 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.92 128.02 2.76 Favored Glycine 0 C--N 1.358 1.762 0 CA-C-O 117.548 -1.696 . . . . 0.0 110.444 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.65 125.19 29.8 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.601 -2.142 . . . . 0.0 106.354 -178.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.3 t -109.07 140.41 42.66 Favored 'General case' 0 C--N 1.362 1.144 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 169.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.2 mtm -114.99 124.49 51.8 Favored 'General case' 0 C--N 1.351 0.665 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -33.51 89.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.184 1.552 . . . . 0.0 112.399 -168.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.37 -72.32 0.29 Allowed Glycine 0 C--N 1.354 1.537 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -124.26 165.01 18.38 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.731 -1.604 . . . . 0.0 108.991 -173.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.538 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m -113.89 153.83 28.55 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -126.4 111.23 14.23 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -98.99 127.35 44.89 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 m -110.21 110.46 58.4 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 116.237 -1.84 . . . . 0.0 109.736 -166.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 153.72 72.94 Favored 'Trans proline' 0 C--N 1.366 1.479 0 C-N-CA 121.338 1.359 . . . . 0.0 110.369 -169.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 C--N 1.356 0.889 0 C-N-CA 117.226 -1.789 . . . . 0.0 108.721 175.156 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.964 0 CA-C-O 117.254 -1.859 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.56 116.2 24.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.5 mp -90.96 141.99 13.6 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 24.9 pt -127.82 130.94 70.17 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 172.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -95.34 75.57 3.37 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -174.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.3 t -119.62 141.93 37.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.124 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -73.15 93.68 1.86 Allowed 'General case' 0 C--N 1.357 0.906 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 p -83.78 164.11 19.76 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 119.479 1.036 . . . . 0.0 109.899 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -126.06 -48.22 1.61 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.79 -1.1 . . . . 0.0 110.565 167.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -117.56 130.12 72.95 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 CA-C-O 123.225 1.488 . . . . 0.0 111.803 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.3 t -53.59 -34.72 59.42 Favored 'General case' 0 CA--C 1.504 -0.795 0 O-C-N 120.436 -1.415 . . . . 0.0 108.578 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -60.68 -42.17 96.57 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.949 1.249 . . . . 0.0 111.69 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -69.67 -21.63 63.51 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.108 -1.901 . . . . 0.0 111.727 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.4 m -84.26 -21.59 31.06 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 120.835 1.652 . . . . 0.0 113.391 167.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.2 -44.55 88.0 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.308 1.413 . . . . 0.0 107.342 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.43 -62.05 3.12 Favored Pre-proline 0 C--N 1.355 0.82 0 CA-C-O 116.249 -1.834 . . . . 0.0 112.154 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.62 -28.61 60.89 Favored 'Trans proline' 0 C--N 1.357 1.019 0 CA-C-N 124.91 2.789 . . . . 0.0 112.061 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -58.23 -48.52 80.11 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.561 1.528 . . . . 0.0 108.127 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -62.52 -45.84 91.13 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.534 -1.354 . . . . 0.0 109.698 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -48.17 -46.85 35.13 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.886 -176.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.0 -63.7 1.0 Allowed 'General case' 0 C--N 1.355 0.812 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.338 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' C ' ' SD ' ' A' ' 23' ' ' MET . . . 169.41 45.44 0.03 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.804 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -113.76 149.98 34.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.293 -172.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -97.48 -19.61 18.29 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 115.649 -2.12 . . . . 0.0 110.32 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.91 172.95 12.26 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 121.945 2.157 . . . . 0.0 111.514 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.84 132.82 2.21 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-O 117.52 -1.711 . . . . 0.0 111.431 173.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -129.9 150.18 51.3 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 115.392 -2.242 . . . . 0.0 110.0 -175.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.9 t -116.16 134.52 54.84 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 121.914 2.143 . . . . 0.0 108.98 170.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.401 ' N ' ' SD ' ' A' ' 29' ' ' MET . 4.0 mpp? -130.12 159.81 35.67 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 117.596 -1.193 . . . . 0.0 108.357 175.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.7 t30 46.57 -100.77 0.06 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.907 -1.521 . . . . 0.0 109.18 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.73 17.93 3.02 Favored Glycine 0 C--N 1.357 1.706 0 CA-C-O 115.526 -2.819 . . . . 0.0 113.868 174.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -127.52 154.13 45.51 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 122.055 2.928 . . . . 0.0 109.025 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m -103.61 155.14 18.77 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.672 1.232 . . . . 0.0 109.585 -173.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -128.27 112.23 14.24 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.0 m -98.32 128.24 44.65 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 m -115.55 109.34 45.97 Favored Pre-proline 0 C--N 1.355 0.811 0 CA-C-O 116.964 -1.493 . . . . 0.0 107.243 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.21 162.66 39.35 Favored 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 120.333 1.155 . . . . 0.0 110.731 -165.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 CA--C 1.504 -0.791 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 177.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.915 0 CA-C-O 117.062 -1.965 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.4 t -132.07 129.72 60.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 CA-C-N 119.669 1.735 . . . . 0.0 107.759 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.63 136.92 56.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -172.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -142.18 109.83 2.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -91.18 84.25 5.65 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -173.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.57 145.95 34.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -70.15 97.66 1.23 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.181 1.355 . . . . 0.0 107.44 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -84.73 169.54 14.16 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 119.881 1.219 . . . . 0.0 109.325 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -123.94 -49.86 1.84 Allowed 'General case' 0 C--N 1.357 0.922 0 O-C-N 124.384 1.053 . . . . 0.0 110.659 165.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.3 pt -118.34 131.35 71.37 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 CA-C-O 123.081 1.419 . . . . 0.0 112.181 -176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -57.55 -29.93 64.81 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.221 -1.549 . . . . 0.0 108.305 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -45.32 95.13 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 120.66 1.573 . . . . 0.0 110.334 176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -67.79 -20.66 65.22 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.138 -1.887 . . . . 0.0 112.17 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.5 m -87.1 -14.11 42.29 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-N 120.814 1.643 . . . . 0.0 113.831 167.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' HD13 ' A' ' 15' ' ' LEU . 2.8 tm? -66.38 -54.36 25.29 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 105.101 -2.185 . . . . 0.0 105.101 174.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -42.96 -60.56 2.26 Favored Pre-proline 0 C--N 1.355 0.816 0 CA-C-N 120.941 1.701 . . . . 0.0 113.303 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.84 -33.53 33.44 Favored 'Trans proline' 0 C--N 1.355 0.877 0 CA-C-N 125.375 2.955 . . . . 0.0 111.61 -178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.9 m -59.35 -34.9 72.94 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.097 1.317 . . . . 0.0 110.625 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -35.9 57.76 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 121.716 2.053 . . . . 0.0 109.259 177.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -52.49 -45.56 66.22 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 120.526 1.512 . . . . 0.0 108.606 -176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.33 -52.09 25.25 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.256 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.22 60.96 0.07 OUTLIER Glycine 0 C--N 1.355 1.593 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -101.87 152.77 20.51 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 -178.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ttp-105 -86.43 -35.29 19.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 115.496 -2.193 . . . . 0.0 107.073 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -126.2 157.42 38.25 Favored 'General case' 0 C--N 1.37 1.458 0 CA-C-N 120.69 1.587 . . . . 0.0 111.373 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.85 112.08 0.76 Allowed Glycine 0 C--N 1.361 1.937 0 CA-C-O 116.43 -2.317 . . . . 0.0 111.043 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -133.36 148.07 51.83 Favored 'General case' 0 C--N 1.36 1.055 0 CA-C-N 120.867 2.334 . . . . 0.0 110.151 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 t -117.48 147.08 43.06 Favored 'General case' 0 C--N 1.364 1.204 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 162.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 31' ' ' GLY . 83.0 mtp -114.91 128.0 56.03 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 104.072 -2.566 . . . . 0.0 104.072 167.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -36.96 91.88 0.0 OUTLIER 'General case' 0 C--N 1.359 0.981 0 O-C-N 124.972 1.42 . . . . 0.0 111.055 -168.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 150.62 -74.63 0.26 Allowed Glycine 0 C--N 1.353 1.512 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.032 1.416 . . . . 0.0 110.862 -173.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.6 m -98.98 138.01 36.7 Favored 'General case' 0 C--N 1.36 1.053 0 O-C-N 123.909 0.756 . . . . 0.0 111.155 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -135.64 118.49 16.21 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-O 117.637 -1.173 . . . . 0.0 108.599 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.6 m -119.98 162.54 19.04 Favored 'General case' 0 C--N 1.36 1.059 0 CA-C-O 117.279 -1.343 . . . . 0.0 110.265 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -115.56 134.2 22.67 Favored Pre-proline 0 C--N 1.361 1.074 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.928 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.74 162.81 40.21 Favored 'Trans proline' 0 C--N 1.362 1.267 0 CA-C-N 121.857 1.699 . . . . 0.0 110.776 -173.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? . . . . . 0 CA--C 1.505 -0.763 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 170.235 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.973 0 CA-C-O 117.906 -1.497 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.6 t -126.86 86.24 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.823 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 3' ' ' ILE . 2.0 mp -92.52 149.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 178.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.33 135.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -99.72 70.65 1.66 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 118.949 0.795 . . . . 0.0 108.864 -171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -114.96 145.52 20.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 117.928 -1.035 . . . . 0.0 108.585 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -69.44 94.48 0.74 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 p -82.28 165.62 20.24 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-N 120.099 1.318 . . . . 0.0 109.248 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -123.71 -51.3 1.82 Allowed 'General case' 0 C--N 1.357 0.926 0 O-C-N 124.455 1.097 . . . . 0.0 110.122 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.57 132.26 69.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.164 0 CA-C-O 123.366 1.555 . . . . 0.0 112.71 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -54.9 -33.94 62.57 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.981 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.2 -39.88 95.9 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 120.709 1.595 . . . . 0.0 111.523 178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.47 -24.34 62.85 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 116.147 -1.883 . . . . 0.0 111.98 -176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.62 -17.31 36.54 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.832 1.651 . . . . 0.0 113.384 168.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.76 -41.31 75.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 116.933 -1.508 . . . . 0.0 108.05 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -54.77 -59.69 9.9 Favored Pre-proline 0 C--N 1.355 0.817 0 CA-C-N 121.999 2.181 . . . . 0.0 112.448 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.89 -33.35 52.81 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 125.09 2.854 . . . . 0.0 111.763 -176.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.2 m -59.07 -35.82 74.01 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.943 1.247 . . . . 0.0 109.308 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -69.61 -44.11 71.38 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.429 1.468 . . . . 0.0 110.539 174.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -51.59 -44.93 62.98 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.699 1.59 . . . . 0.0 109.501 -172.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.23 36.62 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.472 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.81 61.23 0.06 OUTLIER Glycine 0 C--N 1.356 1.655 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -102.49 150.56 23.26 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 118.884 -0.579 . . . . 0.0 110.996 -176.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 -75.07 -38.9 61.16 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-O 116.562 -1.685 . . . . 0.0 107.502 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -135.83 153.43 51.5 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.126 1.33 . . . . 0.0 113.195 -175.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.05 106.97 0.67 Allowed Glycine 0 C--N 1.36 1.91 0 CA-C-O 116.884 -2.064 . . . . 0.0 108.247 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.69 131.32 43.0 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 114.68 -2.581 . . . . 0.0 107.714 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -110.09 142.29 41.75 Favored 'General case' 0 C--N 1.364 1.225 0 CA-C-N 122.522 2.419 . . . . 0.0 106.997 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' GLY . 94.4 mtp -113.78 134.57 54.69 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 171.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -40.5 94.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.76 1.288 . . . . 0.0 111.036 -169.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.27 -70.51 0.34 Allowed Glycine 0 C--N 1.355 1.608 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -129.09 156.71 43.44 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.643 -1.646 . . . . 0.0 110.324 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 39.6 m -98.04 135.53 39.6 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.431 1.014 . . . . 0.0 110.018 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -126.48 108.28 11.03 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -114.07 163.12 15.6 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 117.402 -1.285 . . . . 0.0 109.708 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -127.73 135.77 27.97 Favored Pre-proline 0 C--N 1.361 1.087 0 CA-C-O 115.548 -2.168 . . . . 0.0 108.06 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -71.83 162.84 40.75 Favored 'Trans proline' 0 C--N 1.365 1.421 0 CA-C-N 121.032 1.404 . . . . 0.0 110.648 -172.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp . . . . . 0 C--N 1.356 0.869 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 174.284 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.91 0 CA-C-O 117.092 -1.949 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.7 t -134.47 140.02 46.68 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.687 1.744 . . . . 0.0 107.817 176.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mm -108.07 145.89 14.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.1 pt -139.27 119.89 14.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 173.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -92.88 78.87 4.69 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 -172.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t -128.69 138.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.702 -176.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 103.57 0.46 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 -179.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 14.1 p -90.3 160.91 15.9 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 121.183 1.811 . . . . 0.0 107.197 175.759 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -122.56 -31.39 3.76 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 117.044 -1.455 . . . . 0.0 112.151 159.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -126.74 136.46 60.75 Favored 'Isoleucine or valine' 0 C--N 1.369 1.446 0 CA-C-O 123.801 1.762 . . . . 0.0 113.159 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.1 p -60.32 -30.93 69.82 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 120.358 -1.464 . . . . 0.0 108.429 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -64.95 -39.95 94.27 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.75 1.614 . . . . 0.0 111.432 177.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -68.88 -27.52 65.87 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 116.368 -1.777 . . . . 0.0 111.367 -175.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -83.72 -21.55 32.28 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.471 1.487 . . . . 0.0 113.344 170.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.48 -35.84 82.1 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.848 -1.549 . . . . 0.0 108.255 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 -64.19 2.13 Favored Pre-proline 0 C--N 1.355 0.842 0 CA-C-N 122.262 2.301 . . . . 0.0 111.967 178.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.98 -27.35 58.14 Favored 'Trans proline' 0 C--N 1.356 0.959 0 CA-C-N 124.819 2.757 . . . . 0.0 112.14 -176.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.8 m -59.62 -43.62 93.72 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.364 1.438 . . . . 0.0 107.92 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -61.98 -48.01 82.25 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.955 -1.716 . . . . 0.0 108.894 179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -52.23 -47.53 65.63 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.593 -176.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.99 62.89 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 119.804 -0.758 . . . . 0.0 110.128 -179.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.97 53.76 0.03 OUTLIER Glycine 0 C--N 1.353 1.492 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.2 mmt -112.65 137.64 50.62 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 118.541 -0.743 . . . . 0.0 110.524 -168.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -26.89 51.11 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 116.306 -1.807 . . . . 0.0 108.175 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -140.17 165.49 27.24 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-N 120.685 1.584 . . . . 0.0 112.837 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.9 122.99 2.85 Favored Glycine 0 C--N 1.358 1.798 0 CA-C-O 117.258 -1.857 . . . . 0.0 108.513 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -131.74 129.53 40.74 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 115.488 -2.196 . . . . 0.0 107.482 -176.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 17.2 t -112.35 144.0 42.51 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 121.507 1.958 . . . . 0.0 107.104 169.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ASN . 14.8 mmt -113.87 119.01 35.83 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.239 -2.504 . . . . 0.0 104.239 170.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' MET . 7.2 t30 -29.01 90.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 0 O-C-N 125.289 1.618 . . . . 0.0 111.738 -173.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 148.27 -75.26 0.27 Allowed Glycine 0 C--N 1.354 1.529 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -176.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.37 158.14 31.76 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 118.79 1.295 . . . . 0.0 109.826 -175.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 4.6 m -104.02 153.47 20.82 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 124.296 0.998 . . . . 0.0 111.253 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -130.22 121.74 26.77 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 -178.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.5 m -103.41 138.14 40.56 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.3 m -112.89 106.75 55.05 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 116.168 -1.872 . . . . 0.0 110.096 -169.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -70.55 150.18 63.03 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 121.519 1.479 . . . . 0.0 111.444 -169.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? . . . . . 0 C--N 1.357 0.932 0 C-N-CA 117.849 -1.54 . . . . 0.0 107.506 176.928 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.883 0 N-CA-C 108.437 -1.865 . . . . 0.0 108.437 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t -137.15 96.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.904 0 CA-C-N 119.613 1.707 . . . . 0.0 107.043 -178.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.4 mt -81.11 144.83 9.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.2 pt -130.07 143.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -97.87 76.65 2.45 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -170.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -127.86 120.15 53.24 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 117.962 -1.018 . . . . 0.0 111.947 -174.035 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -44.72 88.12 0.0 OUTLIER 'General case' 0 C--N 1.36 1.034 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.647 170.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.1 p -84.61 165.08 18.26 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 120.367 1.439 . . . . 0.0 108.505 -179.155 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -120.81 -48.99 2.24 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.66 1.225 . . . . 0.0 109.397 167.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -122.24 139.03 50.45 Favored 'Isoleucine or valine' 0 C--N 1.366 1.317 0 CA-C-O 123.716 1.722 . . . . 0.0 113.091 -178.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -62.09 -28.58 69.72 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.037 -1.459 . . . . 0.0 108.64 -177.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -39.3 90.78 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 121.282 1.855 . . . . 0.0 110.974 176.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.23 -26.33 63.8 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 115.721 -2.085 . . . . 0.0 111.644 -175.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -84.11 -21.56 31.4 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 121.174 1.807 . . . . 0.0 113.257 168.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.6 tp -64.11 -32.9 74.64 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.902 1.228 . . . . 0.0 107.733 175.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -57.16 -62.97 4.2 Favored Pre-proline 0 C--N 1.354 0.8 0 CA-C-O 116.328 -1.796 . . . . 0.0 112.451 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.35 -27.52 47.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 CA-C-N 125.073 2.848 . . . . 0.0 112.413 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.1 m -56.98 -43.77 82.0 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.552 1.524 . . . . 0.0 107.721 176.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -63.91 -50.28 69.36 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.842 -1.161 . . . . 0.0 108.602 178.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -44.85 -50.26 10.41 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.209 -175.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.96 -56.29 14.09 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.546 -177.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.25 54.87 0.01 OUTLIER Glycine 0 C--N 1.353 1.485 0 C-N-CA 121.257 -0.497 . . . . 0.0 111.984 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -109.68 148.0 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.803 -1.094 . . . . 0.0 110.219 -174.244 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -92.63 -17.45 24.33 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 115.895 -2.002 . . . . 0.0 109.631 175.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -138.44 162.42 34.5 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 121.571 1.987 . . . . 0.0 113.204 172.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.03 119.49 1.54 Allowed Glycine 0 C--N 1.36 1.864 0 CA-C-O 117.319 -1.823 . . . . 0.0 109.182 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -133.51 126.69 31.62 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 115.326 -2.273 . . . . 0.0 107.809 -175.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 26.0 t -110.76 140.57 45.05 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 121.758 2.072 . . . . 0.0 106.851 172.068 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 31' ' ' GLY . 26.2 mmt -111.79 131.58 55.24 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.329 -2.471 . . . . 0.0 104.329 171.49 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -37.32 92.36 0.01 OUTLIER 'General case' 0 C--N 1.356 0.883 0 O-C-N 125.145 1.528 . . . . 0.0 111.534 -170.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.97 -71.65 0.33 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -178.458 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -123.72 158.18 32.23 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 116.841 -1.552 . . . . 0.0 109.141 -171.517 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 13.6 m -105.0 149.34 25.85 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.425 1.011 . . . . 0.0 110.286 -177.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -122.85 116.98 24.57 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 22.5 m -100.49 130.5 46.58 Favored 'General case' 0 C--N 1.354 0.79 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 177.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.4 m -109.79 104.58 55.76 Favored Pre-proline 0 C--N 1.355 0.847 0 CA-C-O 116.446 -1.74 . . . . 0.0 108.083 -169.398 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -70.03 158.57 56.16 Favored 'Trans proline' 0 C--N 1.364 1.375 0 CA-C-N 120.621 1.257 . . . . 0.0 111.176 -167.14 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 C--N 1.355 0.836 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.93 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.934 0 CA-C-O 117.452 -1.749 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -134.27 128.29 51.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-O 116.434 -1.746 . . . . 0.0 106.703 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -111.9 142.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.922 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.8 pt -132.66 136.09 56.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 172.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -93.56 72.33 4.34 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -168.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.6 t -112.37 134.09 56.02 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.779 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -63.27 86.86 0.03 OUTLIER 'General case' 0 C--N 1.358 0.944 0 CA-C-N 119.658 1.117 . . . . 0.0 108.354 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -81.3 158.23 24.83 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -115.85 -42.04 3.14 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.523 1.139 . . . . 0.0 110.621 165.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -121.44 138.36 52.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.303 0 CA-C-O 123.52 1.629 . . . . 0.0 112.322 -176.25 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -57.39 -32.96 67.35 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.511 -1.368 . . . . 0.0 109.374 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -38.14 90.0 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 119.437 1.017 . . . . 0.0 111.279 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.36 -22.04 61.21 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.411 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.9 m -79.06 -24.13 43.77 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 120.895 1.68 . . . . 0.0 112.362 166.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.12 -51.4 64.13 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 2.5 mp0 -45.6 -62.2 1.91 Allowed Pre-proline 0 C--N 1.355 0.814 0 CA-C-N 121.656 2.025 . . . . 0.0 113.192 -175.015 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.19 -30.6 82.13 Favored 'Trans proline' 0 C--N 1.355 0.894 0 CA-C-N 125.121 2.865 . . . . 0.0 111.316 -178.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -59.7 -43.96 93.87 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.503 1.501 . . . . 0.0 110.449 177.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -37.47 68.65 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.671 1.578 . . . . 0.0 110.299 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.41 -46.42 83.53 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.201 0.909 . . . . 0.0 108.701 -177.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.37 -55.79 24.57 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.892 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.57 55.92 0.02 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-N 118.328 0.513 . . . . 0.0 112.041 178.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.39 152.08 24.66 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.975 -0.536 . . . . 0.0 112.077 -174.043 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.478 HH21 ' HE3' ' A' ' 38' ' ' LYS . 44.2 ttm180 -84.29 -32.73 24.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 116.319 -1.801 . . . . 0.0 108.712 173.543 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -139.42 168.73 19.17 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-N 121.047 1.749 . . . . 0.0 112.493 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.41 126.64 2.97 Favored Glycine 0 C--N 1.359 1.806 0 CA-C-O 117.714 -1.603 . . . . 0.0 109.819 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tppp? -129.51 131.78 46.71 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-O 115.111 -2.376 . . . . 0.0 105.275 179.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 7.6 t -114.85 147.4 39.93 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 122.611 2.459 . . . . 0.0 106.014 169.332 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' GLY . 50.0 mtm -117.84 137.09 53.0 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 104.227 -2.508 . . . . 0.0 104.227 170.137 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -44.36 92.49 0.01 OUTLIER 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.771 1.295 . . . . 0.0 109.921 -168.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 152.76 -74.12 0.25 Allowed Glycine 0 C--N 1.354 1.531 0 N-CA-C 108.999 -1.641 . . . . 0.0 108.999 -173.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 57.2 mtmt -126.72 153.07 45.97 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.177 1.489 . . . . 0.0 111.668 -171.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.55 149.86 24.08 Favored 'General case' 0 C--N 1.359 1.004 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -125.6 113.05 16.89 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 173.343 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -99.38 133.91 43.01 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -112.64 101.38 52.65 Favored Pre-proline 0 C--N 1.357 0.9 0 CA-C-O 116.466 -1.73 . . . . 0.0 107.385 -170.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -68.61 159.2 54.56 Favored 'Trans proline' 0 C--N 1.364 1.361 0 CA-C-N 121.005 1.395 . . . . 0.0 111.55 -166.422 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HE3' HH21 ' A' ' 24' ' ' ARG . 87.8 tttt . . . . . 0 C--N 1.356 0.878 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.997 0 N-CA-C 108.379 -1.888 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 81.7 t -134.9 108.65 10.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 119.631 1.715 . . . . 0.0 107.252 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.13 143.04 13.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 26.5 pt -131.25 130.15 63.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 169.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -94.25 78.45 3.97 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -170.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.4 t -126.58 132.19 70.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.302 -171.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 97.28 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 CA-C-O 117.733 -1.127 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.9 p -88.53 169.17 11.97 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 121.291 1.86 . . . . 0.0 108.432 179.069 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -123.63 -53.73 1.77 Allowed 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.732 1.27 . . . . 0.0 107.751 164.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -117.87 144.52 25.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.36 0 CA-C-O 124.335 2.017 . . . . 0.0 114.813 -177.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -59.19 -35.23 73.22 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.586 -177.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -64.19 -39.58 94.28 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 120.331 1.423 . . . . 0.0 111.266 178.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.27 -26.76 65.82 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 121.199 1.818 . . . . 0.0 111.175 -174.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -85.14 -17.79 36.16 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.345 1.43 . . . . 0.0 113.679 168.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 tp -66.3 -46.03 78.33 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.012 178.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.31 -60.81 4.58 Favored Pre-proline 0 C--N 1.356 0.853 0 CA-C-N 121.322 1.874 . . . . 0.0 111.94 -179.238 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.1 -26.62 57.67 Favored 'Trans proline' 0 C--N 1.357 1.003 0 CA-C-N 124.843 2.765 . . . . 0.0 112.105 -177.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -60.7 -40.93 94.05 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.965 1.712 . . . . 0.0 108.613 174.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.18 -44.73 78.93 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.967 -1.708 . . . . 0.0 108.69 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -47.59 -51.08 22.33 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.795 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.38 -51.66 64.92 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.843 -176.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.22 58.32 0.05 OUTLIER Glycine 0 C--N 1.352 1.456 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 mmt -118.06 137.67 52.75 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.433 -172.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -75.81 -30.75 59.13 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 115.762 -2.065 . . . . 0.0 108.153 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -131.69 165.32 23.98 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 121.528 1.967 . . . . 0.0 112.996 -177.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -140.25 122.92 2.29 Favored Glycine 0 C--N 1.359 1.824 0 CA-C-O 117.389 -1.784 . . . . 0.0 109.55 -177.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -132.31 132.33 42.86 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.043 -178.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.0 t -111.59 141.31 45.34 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 166.02 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.417 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -112.43 126.3 55.15 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 170.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -34.63 90.74 0.0 OUTLIER 'General case' 0 C--N 1.357 0.898 0 O-C-N 125.176 1.548 . . . . 0.0 111.907 -170.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 147.48 -72.38 0.31 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 -178.031 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.88 161.52 22.64 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-O 117.353 -1.308 . . . . 0.0 110.219 -175.342 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.8 m -107.77 152.84 23.82 Favored 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.332 1.02 . . . . 0.0 110.644 -177.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -131.94 117.96 19.14 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -102.1 138.96 38.36 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 178.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -112.02 103.32 55.18 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 116.701 -1.619 . . . . 0.0 109.307 -168.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.16 162.06 31.84 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.467 1.445 . . . . 0.0 114.191 -164.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 C--N 1.356 0.88 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.867 169.121 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.3 t -135.67 138.9 47.31 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 CA-C-N 119.566 1.683 . . . . 0.0 106.948 175.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.5 mm -108.3 143.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-O 116.608 -1.663 . . . . 0.0 106.736 -176.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -137.3 138.89 44.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 120.306 1.412 . . . . 0.0 107.531 172.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.47 62.24 0.93 Allowed 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.038 0.835 . . . . 0.0 109.05 -171.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.9 t -101.45 140.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 117.803 -1.094 . . . . 0.0 109.839 -176.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 tpmt? -72.13 95.78 1.69 Allowed 'General case' 0 C--N 1.359 1.02 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.2 p -85.48 165.09 17.43 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 118.971 0.805 . . . . 0.0 109.968 -176.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -119.5 -49.4 2.36 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.485 1.116 . . . . 0.0 108.894 164.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 pt -122.03 138.61 51.7 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 CA-C-O 123.786 1.755 . . . . 0.0 113.574 -179.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -55.54 -36.11 66.42 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.757 -1.214 . . . . 0.0 108.273 179.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -61.06 -40.37 93.42 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.98 1.264 . . . . 0.0 111.939 178.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -70.06 -25.7 63.66 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 121.023 1.738 . . . . 0.0 111.266 -175.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.95 -22.37 33.79 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.432 1.469 . . . . 0.0 113.049 169.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.38 -39.05 88.84 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.803 -1.57 . . . . 0.0 108.537 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.03 -63.29 2.47 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-N 122.163 2.256 . . . . 0.0 112.078 178.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -67.53 -26.27 40.38 Favored 'Trans proline' 0 C--N 1.356 0.961 0 CA-C-N 124.82 2.757 . . . . 0.0 112.767 -176.004 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -58.15 -42.16 85.32 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.111 1.778 . . . . 0.0 106.907 173.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -63.17 -55.62 23.6 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.089 -1.632 . . . . 0.0 107.706 -178.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -51.84 -38.12 54.64 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 119.09 0.859 . . . . 0.0 111.676 -171.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.13 -57.95 7.28 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.97 52.2 0.01 OUTLIER Glycine 0 C--N 1.352 1.453 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.142 176.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mmt -117.38 137.0 52.76 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.705 -171.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -74.99 -32.21 61.6 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 115.885 -2.007 . . . . 0.0 107.749 176.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -135.31 170.0 16.61 Favored 'General case' 0 C--N 1.364 1.206 0 CA-C-N 121.371 1.896 . . . . 0.0 112.911 -176.575 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.36 130.43 2.33 Favored Glycine 0 C--N 1.358 1.799 0 CA-C-O 117.368 -1.796 . . . . 0.0 112.392 175.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.29 146.18 44.37 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 115.808 -2.044 . . . . 0.0 108.923 -171.015 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.8 t -115.93 134.83 54.57 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 121.797 2.09 . . . . 0.0 109.477 170.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 57.8 mtt -126.77 159.52 33.55 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.213 -1.375 . . . . 0.0 108.209 173.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.2 t30 47.65 -102.82 0.09 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 116.872 -1.537 . . . . 0.0 108.208 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.84 23.89 2.45 Favored Glycine 0 C--N 1.356 1.677 0 CA-C-O 116.333 -2.37 . . . . 0.0 112.895 171.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -125.23 151.6 45.68 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.764 2.282 . . . . 0.0 107.82 -177.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 m -105.96 157.04 17.78 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.21 0.944 . . . . 0.0 111.046 -173.002 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.76 117.53 19.52 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -175.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 65.1 m -102.49 130.02 49.18 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 178.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 84.5 m -112.0 105.37 56.43 Favored Pre-proline 0 C--N 1.359 0.992 0 CA-C-O 116.241 -1.838 . . . . 0.0 109.241 -169.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.97 157.61 34.51 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 122.016 1.811 . . . . 0.0 112.715 -166.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.0 tttt . . . . . 0 C--N 1.357 0.902 0 C-N-CA 118.287 -1.365 . . . . 0.0 110.813 173.199 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.965 0 CA-C-O 117.422 -1.766 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -128.31 113.47 30.25 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 119.398 1.599 . . . . 0.0 106.879 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.1 mp -103.83 149.62 7.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 178.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.9 pt -131.08 144.54 37.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 174.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -102.66 71.25 1.17 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -172.802 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -118.93 140.99 40.87 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.454 -177.089 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.69 94.18 0.09 Allowed 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 177.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 p -83.4 164.1 20.16 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 119.733 1.151 . . . . 0.0 108.012 177.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -125.06 -47.62 1.77 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.301 1.001 . . . . 0.0 110.874 168.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 pt -118.41 131.39 71.32 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 123.262 1.506 . . . . 0.0 111.961 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -55.55 -32.31 62.88 Favored 'General case' 0 CA--C 1.505 -0.759 0 O-C-N 120.57 -1.331 . . . . 0.0 108.888 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.49 -39.37 93.26 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.492 1.496 . . . . 0.0 111.509 176.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.32 -23.63 61.19 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.72 -2.086 . . . . 0.0 112.442 -176.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -83.99 -19.4 34.61 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 121.44 1.927 . . . . 0.0 112.799 166.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 tp -67.42 -37.92 83.79 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.631 -1.652 . . . . 0.0 107.814 177.138 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.26 -62.54 4.64 Favored Pre-proline 0 C--N 1.356 0.875 0 CA-C-N 122.732 2.514 . . . . 0.0 112.853 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.86 -29.51 50.04 Favored 'Trans proline' 0 C--N 1.359 1.08 0 CA-C-N 124.921 2.793 . . . . 0.0 111.438 -176.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.35 -32.45 72.35 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.295 1.407 . . . . 0.0 109.957 175.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -68.71 -45.45 71.52 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.472 1.487 . . . . 0.0 108.884 176.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -54.5 -49.49 70.06 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.673 0.669 . . . . 0.0 109.485 -179.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.86 77.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.389 179.481 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.22 60.96 0.45 Allowed Glycine 0 C--N 1.354 1.55 0 N-CA-C 108.941 -1.664 . . . . 0.0 108.941 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 mmt -108.31 144.07 36.33 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.593 -174.471 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -80.33 -29.06 38.02 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.071 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -128.36 154.2 46.24 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 120.342 1.428 . . . . 0.0 111.473 176.121 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.63 92.72 0.17 Allowed Glycine 0 C--N 1.36 1.908 0 CA-C-O 117.335 -1.814 . . . . 0.0 108.832 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -128.93 152.36 48.65 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.44 -1.743 . . . . 0.0 108.991 -177.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 13.3 t -116.16 149.74 38.57 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 120.038 1.29 . . . . 0.0 107.949 171.465 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' GLY . 24.2 mmt -111.7 135.32 52.46 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 103.968 -2.604 . . . . 0.0 103.968 167.531 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -42.93 92.31 0.01 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.737 1.153 . . . . 0.0 111.404 -170.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 146.52 -67.8 0.4 Allowed Glycine 0 C--N 1.355 1.606 0 CA-C-O 118.24 -1.311 . . . . 0.0 109.909 -178.105 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -127.68 156.2 42.73 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 116.106 -1.902 . . . . 0.0 109.892 -171.202 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 18.8 m -99.97 142.56 31.28 Favored 'General case' 0 C--N 1.362 1.111 0 CA-C-N 120.25 1.386 . . . . 0.0 111.888 -176.589 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -128.6 106.51 9.01 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -174.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.7 m -115.34 158.91 21.73 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.533 176.382 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -128.34 136.62 29.36 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-O 115.37 -2.252 . . . . 0.0 109.173 -178.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.07 164.81 33.46 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.694 1.641 . . . . 0.0 112.643 -170.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.357 0.905 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 175.376 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.925 0 CA-C-O 117.263 -1.854 . . . . 0.0 109.69 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.2 t -126.2 123.76 64.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.6 mp -96.99 144.55 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 179.581 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.18 141.49 45.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 174.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -101.47 67.04 1.12 Allowed 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.964 0.802 . . . . 0.0 109.103 -172.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.2 t -111.39 143.27 21.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.485 -1.245 . . . . 0.0 109.233 -177.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -72.49 84.07 1.11 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.9 p -86.92 159.16 19.13 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.404 -179.08 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -122.14 -47.26 2.15 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.711 -1.138 . . . . 0.0 111.128 175.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -119.58 145.17 26.16 Favored 'Isoleucine or valine' 0 C--N 1.366 1.326 0 CA-C-O 123.747 1.737 . . . . 0.0 113.703 -176.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -59.25 -40.99 87.74 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.868 -175.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' NE ' ' OE2' ' A' ' 16' ' ' GLU . 3.2 tmt_? -65.94 -34.69 78.71 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.242 -178.402 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -70.22 -26.79 64.03 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 121.535 1.97 . . . . 0.0 110.94 -178.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -84.36 -16.61 42.23 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 120.883 1.674 . . . . 0.0 113.32 168.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.84 -36.74 84.31 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.692 -1.623 . . . . 0.0 107.103 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' OE2' ' NE ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -56.69 -59.04 13.52 Favored Pre-proline 0 C--N 1.355 0.809 0 CA-C-N 122.237 2.289 . . . . 0.0 113.931 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.76 -29.9 41.9 Favored 'Trans proline' 0 C--N 1.353 0.81 0 CA-C-N 125.704 3.073 . . . . 0.0 112.298 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.24 -52.66 57.64 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.657 1.571 . . . . 0.0 109.14 -179.375 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -35.82 80.07 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.283 -1.511 . . . . 0.0 109.82 179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -60.17 -48.6 81.05 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.774 0.715 . . . . 0.0 109.922 -175.509 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.98 9.86 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.106 -179.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.04 51.29 0.01 OUTLIER Glycine 0 C--N 1.353 1.499 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.573 176.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.55 157.92 18.04 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -172.61 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -97.37 -22.41 16.64 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 116.243 -1.836 . . . . 0.0 110.275 175.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.26 168.1 25.03 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 121.834 2.106 . . . . 0.0 112.312 171.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.99 150.98 20.88 Favored Glycine 0 C--N 1.359 1.849 0 CA-C-O 117.68 -1.622 . . . . 0.0 113.314 170.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -136.57 159.26 42.35 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 118.879 1.34 . . . . 0.0 110.851 -172.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -117.87 109.87 17.06 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.103 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -120.79 149.07 43.13 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.528 -1.701 . . . . 0.0 108.054 -175.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.6 t30 48.61 -111.47 0.44 Allowed 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.344 -1.789 . . . . 0.0 107.495 -176.313 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.8 17.93 4.89 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-O 116.933 -2.037 . . . . 0.0 112.467 172.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -118.9 167.23 11.92 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 120.671 2.236 . . . . 0.0 106.459 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 1.5 m -117.4 159.13 23.27 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.597 1.09 . . . . 0.0 110.399 179.081 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -127.16 116.34 20.49 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -177.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.0 m -103.17 122.17 44.17 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 176.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.7 p -107.34 116.0 58.73 Favored Pre-proline 0 C--N 1.358 0.975 0 CA-C-O 115.888 -2.006 . . . . 0.0 105.879 -173.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.82 167.24 27.76 Favored 'Trans proline' 0 C--N 1.363 1.312 0 CA-C-N 121.328 1.51 . . . . 0.0 111.772 -166.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HG2' ' OXT' ' A' ' 38' ' ' LYS . 87.1 tttt . . . . . 0 C--N 1.354 0.78 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.327 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.983 0 CA-C-O 117.252 -1.86 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.1 t -133.16 108.3 12.51 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-N 119.572 1.686 . . . . 0.0 106.484 178.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.1 mt -86.22 146.04 6.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.096 -1.816 . . . . 0.0 106.096 -179.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 pt -128.65 139.74 51.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-N 120.092 1.315 . . . . 0.0 107.895 174.373 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -104.46 69.26 0.9 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 119.109 0.868 . . . . 0.0 109.002 -173.041 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.4 t -112.54 145.47 18.53 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 116.963 -1.494 . . . . 0.0 109.575 -177.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -69.39 88.04 0.46 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 176.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 p -86.92 152.42 22.45 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.343 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -45.18 2.96 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 124.587 1.179 . . . . 0.0 109.455 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -125.96 145.18 33.84 Favored 'Isoleucine or valine' 0 C--N 1.37 1.499 0 CA-C-O 124.172 1.939 . . . . 0.0 114.252 -179.053 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 76.6 p -60.66 -34.66 74.63 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 120.536 -1.352 . . . . 0.0 109.143 -178.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -42.36 98.41 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.163 1.347 . . . . 0.0 110.084 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.5 -27.83 67.33 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.418 -174.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.3 m -82.22 -18.05 43.93 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.306 1.412 . . . . 0.0 113.691 168.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -67.61 -43.45 80.42 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 116.168 -1.873 . . . . 0.0 107.974 179.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.295 26.6 mp0 -52.61 -61.61 4.41 Favored Pre-proline 0 C--N 1.358 0.972 0 CA-C-N 122.883 2.583 . . . . 0.0 112.37 178.559 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.69 -28.14 44.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 CA-C-N 124.48 2.636 . . . . 0.0 112.705 -174.404 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -62.61 -44.94 95.04 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.583 1.538 . . . . 0.0 107.228 176.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -61.06 -46.5 90.44 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.815 -1.803 . . . . 0.0 108.83 -179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -49.03 -49.76 39.56 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.24 -177.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.36 42.69 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.519 -178.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.76 52.6 0.02 OUTLIER Glycine 0 C--N 1.352 1.459 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 177.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.1 mmt -114.34 143.14 45.37 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.583 -168.198 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.81 -22.16 24.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -176.114 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -148.88 170.03 19.2 Favored 'General case' 0 C--N 1.372 1.583 0 CA-C-N 121.838 2.108 . . . . 0.0 112.967 172.306 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.89 149.59 19.27 Favored Glycine 0 C--N 1.361 1.972 0 CA-C-O 117.686 -1.619 . . . . 0.0 113.331 169.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -136.42 159.03 43.01 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 117.21 -1.376 . . . . 0.0 110.659 -171.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.4 t -116.89 109.77 17.48 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.239 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.5 mtp -117.68 145.04 44.68 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 116.587 -1.673 . . . . 0.0 107.795 -175.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.5 t30 49.19 -111.19 0.45 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.292 -1.814 . . . . 0.0 107.515 -176.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.41 18.95 4.88 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.945 -2.031 . . . . 0.0 112.567 173.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -122.03 166.05 15.09 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.717 2.258 . . . . 0.0 106.757 178.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.49 160.55 20.44 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.12 0.873 . . . . 0.0 110.503 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -129.62 121.59 27.36 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -177.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.0 m -105.83 127.92 53.41 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 176.593 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -115.26 117.32 41.23 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.54 -2.172 . . . . 0.0 108.998 -170.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.34 155.4 51.15 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.71 1.607 . . . . 0.0 112.948 -168.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? . . . . . 0 C--N 1.358 0.958 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 171.569 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.948 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.63 88.11 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.845 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.0 mt -74.53 140.69 17.14 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.3 pt -142.24 117.58 5.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.141 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -88.7 89.84 8.16 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -172.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.2 t -132.5 142.05 43.57 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tpmt? -65.89 91.18 0.14 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 -177.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p -82.42 163.34 21.72 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 176.667 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.15 -44.31 2.5 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.75 1.282 . . . . 0.0 110.143 165.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.62 142.55 39.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.296 0 CA-C-O 123.423 1.583 . . . . 0.0 112.995 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -62.11 -28.98 70.01 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 119.952 -1.718 . . . . 0.0 110.016 -178.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -40.19 96.8 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 120.242 1.383 . . . . 0.0 109.187 176.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -74.18 -22.5 59.38 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 121.015 1.734 . . . . 0.0 111.973 -176.668 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.3 m -76.23 -27.81 56.93 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.755 1.616 . . . . 0.0 111.498 167.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 tp -66.36 -39.17 88.99 Favored 'General case' 0 C--N 1.36 1.026 0 CA-C-O 115.456 -2.211 . . . . 0.0 109.087 -178.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.27 10.8 mp0 -46.07 -68.15 0.32 Allowed Pre-proline 0 C--N 1.359 0.986 0 CA-C-N 124.108 3.14 . . . . 0.0 112.047 176.18 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -66.48 -28.87 45.46 Favored 'Trans proline' 0 C--N 1.355 0.897 0 CA-C-N 124.507 2.645 . . . . 0.0 112.522 -174.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.3 m -58.71 -50.22 74.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.692 1.587 . . . . 0.0 108.434 178.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -61.77 -46.28 90.24 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 121.181 -0.95 . . . . 0.0 109.091 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -53.68 -46.4 70.65 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.688 -172.441 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.27 6.5 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.403 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.66 52.42 0.01 OUTLIER Glycine 0 C--N 1.354 1.536 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.447 178.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -108.26 149.69 28.28 Favored 'General case' 0 CA--C 1.501 -0.92 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.151 -173.934 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -86.86 -29.69 22.01 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 115.035 -2.412 . . . . 0.0 107.572 173.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.44 157.1 43.54 Favored 'General case' 0 C--N 1.37 1.459 0 CA-C-N 121.918 2.145 . . . . 0.0 112.951 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.05 118.16 1.78 Allowed Glycine 0 C--N 1.361 1.942 0 CA-C-O 117.271 -1.849 . . . . 0.0 109.169 179.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -136.17 145.63 45.98 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 115.374 -2.25 . . . . 0.0 109.324 -173.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' O ' ' A' ' 32' ' ' LYS . 8.4 t -124.41 154.59 40.19 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.514 2.416 . . . . 0.0 109.099 169.744 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.02 134.14 55.05 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 164.029 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -46.46 93.82 0.01 OUTLIER 'General case' 0 C--N 1.359 1.019 0 CA-C-N 120.037 1.289 . . . . 0.0 109.583 -171.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' MET . . . 151.36 -73.07 0.28 Allowed Glycine 0 C--N 1.353 1.51 0 N-CA-C 108.764 -1.735 . . . . 0.0 108.764 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -122.07 148.34 44.98 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.05 1.425 . . . . 0.0 112.137 -173.84 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.1 m -83.18 151.39 25.71 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -130.31 115.51 17.04 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 174.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 55.3 m -102.6 140.91 36.26 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 175.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.1 m -123.96 113.63 28.29 Favored Pre-proline 0 C--N 1.359 0.997 0 CA-C-O 116.634 -1.651 . . . . 0.0 108.066 -174.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.08 162.75 41.59 Favored 'Trans proline' 0 C--N 1.364 1.387 0 CA-C-N 120.732 1.297 . . . . 0.0 111.763 -163.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.4 tttt . . . . . 0 C--N 1.356 0.864 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.494 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.972 0 N-CA-C 108.06 -2.016 . . . . 0.0 108.06 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -116.12 92.08 2.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 -179.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.8 mm -75.49 146.14 9.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 177.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.33 137.92 45.65 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 171.126 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -100.1 69.7 1.52 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -170.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -123.78 138.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.334 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 99.59 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-O 117.498 -1.239 . . . . 0.0 108.34 178.401 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -86.52 162.46 18.04 Favored 'General case' 0 CA--C 1.496 -1.129 0 CA-C-N 121.218 1.826 . . . . 0.0 107.863 177.169 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -55.11 1.53 Allowed 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 164.833 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 pt -107.72 123.05 62.83 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 CA-C-O 123.117 1.436 . . . . 0.0 111.339 -178.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -51.0 -30.69 15.83 Favored 'General case' 0 CA--C 1.506 -0.742 0 O-C-N 120.287 -1.508 . . . . 0.0 109.627 177.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -40.79 98.35 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 120.522 1.51 . . . . 0.0 111.307 177.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.33 -24.72 64.86 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 116.196 -1.859 . . . . 0.0 112.051 -179.415 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.07 -18.86 41.64 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.741 1.609 . . . . 0.0 112.8 168.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -47.63 76.55 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.856 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . 0.252 1.0 OUTLIER -44.73 -64.23 0.91 Allowed Pre-proline 0 C--N 1.355 0.822 0 CA-C-N 121.728 2.058 . . . . 0.0 113.218 -176.669 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.01 -30.68 56.53 Favored 'Trans proline' 0 C--N 1.356 0.951 0 CA-C-N 124.728 2.724 . . . . 0.0 112.089 -177.092 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.1 m -56.21 -44.54 79.62 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 120.629 1.559 . . . . 0.0 108.657 176.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -67.61 -45.97 73.9 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.838 -1.164 . . . . 0.0 109.91 -178.501 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -51.19 -50.53 58.85 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.725 0.693 . . . . 0.0 110.049 -176.467 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -54.59 44.26 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.801 -177.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.58 53.49 0.02 OUTLIER Glycine 0 C--N 1.353 1.494 0 C-N-CA 121.229 -0.51 . . . . 0.0 111.948 177.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -107.35 145.45 32.84 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 118.496 -0.764 . . . . 0.0 109.462 -174.041 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -88.86 -25.48 22.13 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 115.393 -2.241 . . . . 0.0 107.255 175.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -137.86 170.99 15.1 Favored 'General case' 0 C--N 1.37 1.487 0 CA-C-N 121.329 1.877 . . . . 0.0 111.263 178.755 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.77 135.59 4.08 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 118.273 -1.293 . . . . 0.0 111.556 174.126 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -133.06 143.5 49.4 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 115.367 -2.254 . . . . 0.0 106.724 -174.437 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 33' ' ' CYS 0.255 37.1 t -109.03 140.67 42.25 Favored 'General case' 0 C--N 1.363 1.178 0 CA-C-N 121.894 2.134 . . . . 0.0 105.775 168.928 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASN . 69.4 mtp -113.41 104.35 12.2 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 104.018 -2.586 . . . . 0.0 104.018 174.87 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' MET . 41.9 t30 -17.65 89.2 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 O-C-N 125.025 1.453 . . . . 0.0 114.044 -171.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.49 -70.21 0.42 Allowed Glycine 0 C--N 1.354 1.557 0 N-CA-C 108.476 -1.85 . . . . 0.0 108.476 178.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -110.38 157.61 19.35 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 116.615 -1.659 . . . . 0.0 108.073 -177.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.7 m -106.21 155.27 19.64 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.594 1.088 . . . . 0.0 110.162 177.374 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -126.52 114.57 18.3 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.2 m -100.3 133.34 44.85 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.708 -2.33 . . . . 0.0 104.708 177.04 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -116.31 104.69 51.65 Favored Pre-proline 0 C--N 1.357 0.931 0 CA-C-O 116.726 -1.607 . . . . 0.0 108.55 -168.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.33 158.1 58.99 Favored 'Trans proline' 0 C--N 1.365 1.411 0 CA-C-N 120.569 1.239 . . . . 0.0 110.689 -166.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp . . . . . 0 C--N 1.355 0.835 0 C-N-CA 118.13 -1.428 . . . . 0.0 108.815 177.047 . . . . . . . . 0 0 . 1 stop_ save_